Table 1.
Data Collection and Refinement Statistics
| RET JM-KDd3 |
RETJM-KDd1 |
|
|---|---|---|
| 5FM3 | 5FM2 | |
| Space group | P 63 2 2 | P 63 2 2 |
| Cell dimensions | ||
| a, b, c, Å | 98.5, 98.5, 146.3 | 98.4, 98.4, 144.5 |
| α, β, γ | 90.0°, 90.0°, 120.0° | 90.0°, 90.0°, 120.0° |
| Resolution (outer resolution shell), Å | 40 – 2.95 (3.11 – 2.95) | 50 – 3.30 (3.48 – 3.30) |
| Rsym (%) | 10.9 (79.5) | 0.17 (0.89) |
| Rp.i.m. (%) | 4.1 (30.1) | 0.05 (0.28) |
| I/σ | 12.9 (2.8) | 10.9 (2.8) |
| Completeness (%) | 99.9 (100.0) | 100 (100) |
| Redundancy | 7.9 (8) | 10.9 (11.3) |
| Resolution (outer resolution shell), Å | 40 – 2.95 (3.37 – 2.95) | 55.0 – 3.3 (3.75 – 3.3) |
| No. of unique reflections | 9,360 | 6,686 |
| Rwork | 19.9 (25.0) | 23.4 (25.7) |
| Rfreea | 22.4 (28.9) | 25.3 (29.4) |
| No. of atoms | 2,151 | 2,105 |
| Wilson B factor | 76.8 | 79.4 |
| Average isotropic B factors, Å2 | 74.4 | 75.9 |
| Rmsds | ||
| Bonds, Å | 0.002 | 0.002 |
| Angles, ° | 0.66 | 0.65 |
| Ramachandran plot (favored/allowed/disallowed), % | 94.9/4.7/0.4 | 96.3/3.7/0.0 |
a
A total of 5% of the data were set aside to compute Rfree.