Table 2. Re-refinement of selected neutron-only models from the PDB.
Comparison of published R-factor statistics and those obtained by re-refinement using REFMAC5.
| PDB information | REFMAC5 refinement statistics | |||||
|---|---|---|---|---|---|---|
| PDB code | Published resolution range (low–high) (Å) | Published R values (work/free) (%) | Initial R values (work/free) (%) | Final R values (work/free) (%) | Data completeness (%) | No. of reflections |
| 1c57 | 15.79–2.40 | 27.0/30.1 | 29.7/33.0 | 19.9/25.4 | 87.38 | 8129 |
| 1cq2 | 6.00–2.00 | 16.0/25.0 | 18.6/25.7 | 14.9/24.7 | 91.07 | 7528 |
| 1iu6 | 10.00–1.60 | 20.1/22.8 | 21.1/23.4 | 18.4/22.9 | 87.16 | 5775 |
| 1v9g | 25.05–1.80 | 22.2/29.4 | 26.9/33.5 | 22.9/33.7 | 85.31 | 1949 |
| 1vcx | 27.60–1.50 | 18.6/21.7 | 19.0/21.7 | 17.8/21.8 | 81.94 | 6620 |
| 1wq2 | 20.00–2.40 | 22.9/28.9 | 28.6/32.1 | 21.5/28.7 | 92.29 | 6232 |
| 1xqn | 32.82–2.50 | 26.6/32.0 | 30.0/31.5 | 23.0/29.4 | 74.99 | 6088 |
| 2dxm | 8.00–2.10 | 19.7/26.0 | 20.2/26.6 | 18.8/26.4 | 64.12 | 20178 |
| 2efa | 80.00–2.70 | 21.6/29.1 | 24.3/27.6 | 22.3/28.0 | 95.66 | 2154 |
| 2gve | 10.00–2.20 | 26.8/31.9 | 26.3/30.3 | 23.4/29.8 | 93.73 | 22133 |
| 2wyx | 19.41–2.10 | 22.3/25.8 | 25.8/28.7 | 22.5/27.7 | 86.85 | 15033 |
| 2xqz | 53.19–2.10 | 22.5/25.9 | 25.9/29.1 | 19.0/26.5 | 77.26 | 13374 |
| 2yz4 | 33.64–2.20 | 27.9/31.2 | 28.1/31.3 | 22.0/27.6 | 66.06 | 8044 |
| 2zoi | 70.00–1.50 | 19.2/21.9 | 19.9/22.4 | 18.5/21.5 | 89.64 | 14526 |
| 2zpp | 20.00–2.50 | 22.1/26.0 | 22.8/26.8 | 20.5/25.9 | 98.61 | 2612 |
| 2zwb | 20.00–1.80 | 22.3/24.7 | 22.8/25.0 | 18.0/23.1 | 95.93 | 9862 |
| 3a1r | 30.84–1.70 | 19.5/23.8 | 18.5/22.9 | 16.1/21.8 | 81.89 | 10300 |
| 3fhp | 41.43–2.00 | 16.8/24.7 | 18.6/23.4 | 16.8/22.2 | 81.46 | 4615 |
| 3kmf | 20.00–2.00 | 25.0/30.0 | 28.9/29.1 | 27.9/31.0 | 86.35 | 31611 |
| 3q3l | 36.42–2.50 | 22.1/26.8 | 23.0/26.8 | 22.9/26.6 | 73.25 | 27157 |
| 3ryg | 27.11–1.75 | 18.1/20.0 | 22.8/23.8 | 20.4/25.5 | 92.21 | 4884 |
| 3rz6 | 21.77–1.75 | 20.8/23.8 | 25.2/25.6 | 21.3/25.1 | 79.55 | 4215 |
| 3rzt | 27.21–1.75 | 20.2/24.9 | 25.4/29.3 | 21.9/29.2 | 75.60 | 3989 |
| 3ss2 | 24.33–1.75 | 21.1/24.2 | 23.9/26.2 | 20.1/26.0 | 77.19 | 4080 |
| 3u2j | 12.10–2.00 | 23.2/27.2 | 23.5/27.0 | 22.4/26.5 | 86.54 | 14521 |
| 4ar3 | 15.71–1.05 | 19.9/23.7 | 19.7/23.0 | 18.8/22.4 | 88.73 | 21580 |
| 4ar4 | 27.46–1.38 | 18.6/22.6 | 17.9/22.1 | 15.5/21.0 | 91.56 | 9958 |
| 4bd1 | 9.97–2.00 | 21.9/25.7 | 22.4/25.0 | 14.6/17.6 | 87.72 | 18290 |
| 4c3q | 10.00–2.20 | 19.2/24.0 | 21.3/25.1 | 17.3/24.2 | 88.19 | 13256 |
| 4fc1 | 10.00–1.10 | 21.1/25.3 | 22.8/25.5 | 21.5/24.1 | 76.85 | 10549 |
| 4g0c | 20.00–2.00 | 26.7/28.3 | 27.2/26.0 | 24.3/28.1 | 84.40 | 13742 |
| 4k9f | 27.14–1.75 | 19.9/24.1 | 21.6/26.0 | 17.8/25.7 | 74.37 | 3671 |
| 4q49 | 20.00–1.80 | 18.7/21.5 | 18.6/20.9 | 15.5/20.4 | 89.45 | 18803 |
| 4y0j | 20.00–2.00 | 26.3/29.1 | 29.2/30.6 | 26.6/31.8 | 80.89 | 13095 |
| 4zz4 | 51.19–1.80 | 19.7/22.1 | 19.5/20.6 | 17.7/23.4 | 71.33 | 7524 |
| 5a90 | 38.91–1.70 | 19.2/22.7 | 21.1/24.1 | 18.9/23.2 | 88.61 | 28772 |
| 5gx9 | 33.45–1.49 | 15.8/20.0 | 17.3/21.0 | 17.0/20.9 | 93.50 | 14375 |
| 5ksc | 10.00–2.10 | 24.0/28.0 | 29.6/31.4 | 23.5/30.9 | 70.78 | 12424 |
| 5mnx | 22.17–1.42 | 16.6/20.6 | 18.5/21.9 | 18.3/21.8 | 90.57 | 36197 |
| 5mny | 22.09–1.43 | 16.4/19.3 | 18.1/20.5 | 18.2/20.2 | 93.83 | 36397 |
| 5mnz | 21.32–1.45 | 16.9/20.1 | 18.1/21.1 | 18.0/21.0 | 90.20 | 33722 |
| 5mo1 | 19.68–1.49 | 17.5/21.6 | 18.6/22.3 | 18.9/22.5 | 93.38 | 32293 |
| 5mo2 | 22.14–1.50 | 16.1/20.0 | 17.4/20.8 | 17.2/20.5 | 88.77 | 30027 |
| 5ty5 | 14.78–2.30 | 23.9/25.2 | 27.2/27.0 | 24.4/29.8 | 73.88 | 34761 |
| 5vg1 | 12.00–2.10 | 18.7/26.5 | 21.4/27.5 | 19.8/27.0 | 75.47 | 13304 |
| 5vnq | 16.70–2.20 | 24.2/28.0 | 27.5/30.1 | 23.7/29.0 | 71.29 | 7734 |
| 5zo0 | 22.86–1.65 | 18.6/22.9 | 19.7/23.2 | 18.2/22.4 | 86.21 | 21422 |
| 6c78 | 14.76–1.75 | 18.9/21.7 | 23.9/25.6 | 19.8/24.9 | 85.31 | 25773 |
| 6gtj | 32.66–1.80 | 23.2/27.6 | 24.7/28.6 | 19.7/27.6 | 78.58 | 21858 |
| 6h1m | 21.76–2.15 | 21.8/24.9 | 22.3/25.3 | 18.5/22.5 | 91.42 | 12707 |
| 6l26 | 24.76–1.44 | 16.8/20.6 | 18.9/22.1 | 16.9/21.0 | 88.73 | 33763 |
| 7jor | 17.23–2.05 | 24.9/28.8 | 25.4/29.5 | 23.2/29.5 | 79.44 | 12714 |
| 7kks | 14.64–2.20 | 25.7/28.2 | 28.1/30.7 | 22.4/29.0 | 98.34 | 23326 |
| 7kkw | 14.65–2.30 | 24.9/30.2 | 27.9/31.8 | 22.5/31.6 | 98.38 | 20628 |
| 7vei | 17.70–2.00 | 17.0/21.5 | 16.8/21.5 | 14.2/21.3 | 98.30 | 7555 |