Table 1 X-ray data collection and refinement statistics
From: Structural basis for proton coupled cystine transport by cystinosin
S-SAD data | Cystinosin apo (Syb39 & Nb4) | Cystinosin apo (Nb1 & Nb4) | Cystinosin cystine complex (Syb39) | ||
|---|---|---|---|---|---|
Data collection | PDB | – | 7ZK1 | 7ZKZ | 7ZKW |
Space group | P 21 21 2 | P 21 21 2 | C 2 | C 2 | |
Cell dimensions a, b, c (Å) | 62.60, 319.49, 45.48 | 62.79, 319.96, 45.65 | 210.28, 77.46, 46.30 | 283.37, 64.07, 55.44 | |
Cell angles α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 93.25, 90 | 90, 99.95, 90 | |
Wavelength (Å) | 2.7552 | 0.9999 | 0.9795 | 0.9762 | |
Resolution (Å) a | 29.24–3.20 (3.28–3.20) | 79.99–2.65 (2.69–2.65) | 104.76–2.33 (2.37–2.33) | 70.10–3.37 (3.52–3.37) | |
CC1/2 (%) a | 99.9 (67.1) | 99.8 (35.7) | 99.5 (42.7) | 79.7 (10.0) | |
Rpim (%) a | 5 (99.2) | 11.4 (227.6) | 7.2 (91.7) | 49.7 (120.5) | |
I/σI a | 13.7 (1.1) | 5.9 (0.4) | 7.9 (0.6) | 2.0 (0.6) | |
Completeness (%) a | 99.7 (99.5) | 100 (99.9) | 100 (100) | 99.7 (95.3) | |
Multiplicity a | 44.6 (38.6) | 23.9 (13.3) | 6.4 (6.7) | 6.1 (5.9) | |
Refinement | Resolution (Å) | 79.99–2.65 | 20.79–2.33 | 69.78–3.37 | |
Number of reflections | 26170 | 31641 | 12426 | ||
Rwork/Rfree | 23.4/27.49 | 23.5/26.5 | 23.5/27.7 | ||
Fo,Fc correlation | 0.83 | 0.94 | 0.83 | ||
Average B, all atoms (Å2) | 84.8 | 66.9 | 67.5 | ||
R.m.s deviations | Bond lengths (Å) | 0.009 | 0.008 | 0.014 | |
Bong angles (°) | 1.05 | 0.97 | 1.55 | ||
Ramachandran statistics Favoured/outliers (%) | 91.55/2.47 | 97.88/0.64 | 89.72/2.50 | ||
Molprobity score | 2.97 | 1.77 | 2.94 |
