Table 1.
The Statistics of Structures
| Crystals | BRCT-Ab1p_short | BRCT-Ab2p |
|---|---|---|
| X-ray source | Diamond Light Source Beamline I03 | Diamond Light Source Beamline I04-1 |
| Wavelength (Å) | 0.9793 | 0.9200 |
| Space group | P3221 | P212121 |
| Cell dimensions a, b, c (Å) and α, β, γ (°) | 63.8, 63.8, 93.4, 90, 90, and 120 | 86.8, 183.7, 190.5, 90, 90, and 90 |
| Resolution (Å) | 47.6-2.5 | 95.3-3.5 |
| Rsyma | 0.051 (0.498)b | 0.096 (0.701) |
| I / σ | 24 (5.1) | 16.4 (2.6) |
| Wilson B factor | 58.6 | 97.2 |
| Completeness (%) | 99.9 (99.8) | 99.8 (98.8) |
| Redundancy | 9.3 (9.4) | 7.4 (7.8) |
| Refinement | ||
| Resolution (Å) | 47.6-2.5 (2.6-2.5) | 95.3-3.5 (3.7-3.5) |
| No. unique reflections | 8,000 | 39,170 |
| Rcrystc | 0.215 (0.356) | 0.235 (0.319) |
| Rfreed | 0.252 (0.374) | 0.298 (0.341) |
| No. protein atoms | 1,701 | 14,092 |
| No. copy number of complex in ASU | 1 | 8 |
| Ramachandran favored (%) | 97.7 | 97.1 |
| Average B-factor (Å2) | 66.68 | 114.6 |
| Rmsds | ||
| Bond lengths (Å) | 0.007 | 0.007 |
| Bond angles (°) | 0.823 | 0.900 |
a
Rsym = Σh|Ih − < I > |/ΣhIh, where Ih is the intensity of reflection h and < I > is the mean intensity of all symmetry-related reflections.
b
The statistics in parenthesis are for the highest resolution shell.
c
Rcryst = Σ||Fobs|−|Fcalc||/Σ|Fobs|, Fobs and Fcalc are observed and calculated structure factor amplitudes.
d
Rfree as for Rcryst using a random subset of the data (about 10% for BRCT-Ab1p_short and 5% for BRCT-Ab2p) excluded from the refinement.