Table 1.
Table of crystallographic data collection and refinement statistics
| Cenp-HIKHead-TW (PDB: 6YPC) | Se-Met | Native |
|---|---|---|
| Data collection | ||
| Beamline | I03, DLS | I24, DLS |
| Wavelength | 0.9793 | 0.9465 |
| Resolution range (Å)a | 3.8–69 (3.8–4) | 2.9–74 (2.9–3.07) |
| Space group | I4122 | I4122 |
| Unit cell parameters (Å) | a = b = 133.1, c = 242 | a = b = 132.58, c = 241.68 |
| No. of crystals | 11 | 1 (8-wedge series) |
| No. of unique reflections | 11126 | 24344 |
| Multiplicitya | 316 (335) | 63.3 (62.3) |
| Completeness (%)a | 100 (99.6) | 100 (100) |
| Mean I/sigIa | 13 (1.6) | 10 (1.1) |
| R meas b | 0.41 (13.8) | 0.37 (14.5) |
| R pim | 0.024 (0.75) | 0.047 (1.83) |
| CC1/2a | 1.0 (0.81) | 1.0 (0.68) |
| Refinement | ||
| Resolution (Å) | 69–2.9 | |
| R work c | 0.21 | |
| R free d | 0.26 | |
| R.m.s.d., bonds lengths (Å) | 0.01 | |
| R.m.s.d., angles (°) | 1.3 | |
| Mean B factor (Å2) | 85 | |
| Wilson B factor (Å2) | 101 | |
| Ramachandran favoured/allowed (%) | 90/8 | |
| Rotamer outliers | 0 | |
| Molprobity score | 2.43 | |
| RCSB PDB ID | - | 6YPC |
aParentheses indicate the highest-resolution shell.
b R meas = {∑hkl√n/(n− 1)[∑nj = 1|Ihkl,j− 〈Ihkl&x3009 x232A;|]}/∑hkl∑jIhkl,j.
c R work = ∑||Fobs| − |Fcalc||/|Fobs| × 100.
d R free, based on 5% of the total reflections.