Table 2. Cry35Ab1 (4JP0) data processing, model and refinement statistics.
| Data processing statistics | ||||
| Native | Pt derivative | |||
| Radiation Wavelength | 1.54 | 2.29 | 1.54 | 2.29 |
| Resolution (Å) | 26.37–1.80 (1.88–1.80) | 25.37–2.7 (2.78–2.7) | 24.51–2.5 (2.57–2.5) | 21.98–2.85 (2.91–2.85) |
| Space group | P212121 | P212121 | P212121 | P212121 |
| Unit cell length | ||||
| a | 48.7 | 48.6 | 48.5 | 48.5 |
| b | 65.1 | 64.3 | 65.0 | 64.4 |
| c | 117.4 | 117.2 | 117.2 | 117.1 |
| Number of reflections (>1σ) | 403,522 (39,620) | 122,443 (11937) | 36,245 (3593) | 107,428 (11890) |
| Unique reflections | 35,100 (4,862) | 10,791 (1203) | 14,538 (1498) | 8,968 (9133) |
| Average I/s (I) | 21.3 (2.5) | 15.3 (5.6) | 12.5(3.0) | 15.9 (6.5) |
| Rmerge a (%) | 5.6 (29.2) | 8.4 (29.6) | 7.6 (27.9) | 11.3 (32.8) |
| Completeness (%) | 99.3 (95.3) | 94.4 68.4) | 96.5 (96.5) | 99.7 (94.0) |
a
Rmerge = 100Σ(h)Σ(i)|I(i)-<I>|/Σ(h)Σ(i)I(i) where I(i) is the ith intensity measurement of reflection h, and <I> is the average intensity from multiple observations.
b
Rcryst = Σ||F obs|-|F calc||/Σ|F obs|. Where F obs and F calc are the structure factor amplitudes from the data and the model, respectively. Rfree is Rcryst with 10% of the structure factors.
c
Number of residues in favored/additionally favored outlier region. Calculated using PROCHECK [14].