| Crystal | 8 | 9 | ||||
| PDB code | 3txh | 4dd7 | 4ddc | |||
| Software | PROTEUM2 | EVAL | Mosflm | PROTEUM2 | EVAL | Mosflm |
| Unit cell† | a = 78.84 | a = 78.82 | a = 78.80 | a = 78.60 | a = 78.94 | a = 78.49 |
| c = 37.03 | c = 37.02 | c = 37.00 | c = 37.01 | b = 79.08 | c = 36.94 | |
| c = 36.98 | ||||||
| Observed reflections | 361272 | 500514 | 323705 | 30705 | 329619 | 209107 |
| Unique reflections | 13494 | 15970 | 12839 | 4377 | 21884 | 11716 |
| Resolution () | 55.751.69 (1.791.69) | 20.671.60 (1.651.60) | 19.111.72 (1.821.72) | 54.451.54 (2.372.25) | 19.161.80 (1.861.80) | 18.721.72 (1.821.72) |
| Completeness (%) | 99.8 (99.4) | 99.9 (99.9) | 99.9 (100) | 100 (100) | 99.9 (100) | 92.3 (99.1) |
| R merge | 0.0557 (0.156) | 0.057 (0.179) | 0.059 (0.15) | 0.106 (0.583) | 0.079† (0.213) | 0.15 (0.74) |
| Merged mean I/ | 44.8 (10.7) | 42.5 (7.0) | 41.4 (9.9) | 20.53 (23.18) | 22.9† (4.4) | 12.0 (1.8) |
| Redundancy | 26.7 (9.8) | 31.4 (9.4) | 25.2 (9.4) | 19.8 (3.91) | 15.1 (5.6) | 17.8 (6.2) |
| B Wilson | 12.2 | 12.5 | 12.2 | 8.4 | 15.1 | 15.7 |
| Average atomic B factor () | 15.8 | 13.6 | 13.7 | 16.2 | 16.2 | 30.2 |
| R factor/R free (%) | 16.7/23.2 | 18.3/22.3 | 17.0/22.7 | 18.1/27.1 | 21.8/25.5 | 20.1/29.0 |
| R factor (all) | 16.9 | 18.5 | 17.3 | 19.2 | 21.9 | 20.6 |
| R.m.s.d. bond lengths ()/angles () | 0.0307/2.5650 | 0.0200/2.0684 | 0.0210/2.0594 | 0.0274/2.3062 | 0.0181/1.8160 | 0.0165/1.5159 |
The resolution was cut back because at higher resolutions the protein structure refinement gave poor R/R free statistics.
‡
Reflections contaminated with ice scattering were removed from the data using a de-ice software procedure.