| Crystal | 4 | 10 | 11 | |||||
|---|---|---|---|---|---|---|---|---|
| PDB code | 3txi | 4dd9 | 3txj | 4dda | 3txk | 4ddb | ||
| Software | d*Trek | EVAL | Mosflm | d*Trek | EVAL | Mosflm | d*Trek | EVAL |
| Unit cell† | a = 78.66 | a = 78.53 | a = 78.04 | a = 78.53 | a = 78.37 | a = 78.48 | a = 79.46 | a = 79.64 |
| c = 36.98 | c = 37.36 | c = 37.98 | c = 36.72 | c = 36.58 | c = 36.99 | c = 36.96 | c = 37.02 | |
| Observed reflections | 358383 | 296297 | 310742 | 56396 | 49543 | 61525 | 13178 | 79530 |
| Unique reflections | 15336 | 15451 | 11554 | 4343 | 4120 | 4991 | 4150 | 3234 |
| Resolution () | 55.181.60 (1.661.60) | 31.011.70 (1.761.70) | 26.841.78 (1.881.78) | 55.532.48 (2.572.48) | 19.592.40 (2.482.40) | 25.462.38 (2.512.38) | 56.193.00 (3.113.00) | 30.942.50 (2.582.50) |
| Completeness (%) | 98.8 (90.5) | 98.9 (89.7) | 100 (100) | 99.2 (93.1) | 85.3‡ (100) | 99.9 (100) | 91.3‡ (91.9) | 72 (100) |
| R merge | 0.053 (0.220) | 0.047 (0.154) | 0.051 (0.13) | 0.199 (0.412) | 0.147 (0.607) | 0.226 (0.87) | 0.15 (0.266) | 0.136 (0.528) |
| Merged mean I/ | 36.4 (6.2) | 42.8 (6.6) | 50.0 (22.7) | 9.4 (4.8) | 13.6 (4.0) | 7.8 (2.5) | 5.8 (3.2) | 27.8 (6.3) |
| Redundancy | 23.7 (7.4) | 19.2 (4.5) | 26.9 (25.8) | 12.9 (11.5) | 12.1 (12.8) | 12.3 (12.7) | 3.18 (3.15) | 24.6 (24.5) |
| B Wilson | 22.2 | 18.9 | 20.3 | 34.0 | 35.2 | 37.0 | 48.0 | 34.9 |
| Average atomic B factor () | 29.9 | 18.6 | 23.1 | 32.3 | 29.9 | 48.4 | 42.1 | 17.8 |
| R factor/R free (%) | 18.7/23.3 | 18.3/22.3 | 18.9/23.9 | 22.3/28.9 | 20.0/28.5 | 21.2/26.6 | 21.1/25.8 | 21.4/27.9 |
| R factor (all) | 19.1 | 18.5 | 19.2 | 22.5 | 20.4 | 21.4 | 20.2 | 21.6 |
| R.m.s.d. bond lengths ()/angles () | 0.0280/2.3712 | 0.0200/2.0684 | 0.0199/2.0314 | 0.0219/1.94328 | 0.0126/2.3771 | 0.0186/1.6260 | 0.0217/2.0624 | 0.007/1.173 |
Processing with Mosflm did not succeed.
†
Space group is P43212 for all data.
‡
Reflections contaminated with ice scattering were removed from the data using a de-ice procedure.