Table 1. Crystallographic data, phasing and refinement statistics.
| Data Collection | Vps33 SeMet MADa | Vps16 SeMet | |
| Data set | Se Inflection | Se Remote | Se Inflection |
| Wavelength (Å) | 0.9793 | 0.9640 | 0.9793 |
| Resolution (Å) | 50.−2.66 (2.74–2.66)b | 50.−2.60 (2.74–2.60)b | 50.−2.60(2.64–2.60)b |
| Unique reflections | 40,688 | 43,028 | 31,686 |
| Completeness (%) | 99.8 (99.9)b | 99.8 (99.9)b | 98.1 (94.0)b |
| Redundancy | 3.7 (3.8)b | 3.7 (3.7)b | 9.3 (9.4)b |
| Rsym (%) | 11.1 (87.3)b | ||
| Rmeas (%) | 8.5 (63.3)b | 9.0 (61.1)b | |
| <I/σI> | 16.1 (2.5)b | 15.1 (2.6)b | 13.7 (2.4)b |
| Phasing | |||
| Figure of Merit | 0.52 | N/A | |
| Refinement | |||
| Resolution | 50.−2.60 (2.66–2.60)b | 50–2.60(2.68–2.60) | |
| Number of reflections(free set) | 43,008 (2,153) | 31,605(1,600) | |
| Completeness (%) | 99.7 | 98.1 | |
| R-factor (%) | 18.5 (24.9)b | 22.6 (26.3)b | |
| R-free (%) | 24.7 (33.3)b | 25.4 (33.1)b | |
| Number of | |||
| Protein atoms | 9,565 | 6,658 | |
| Water atoms | 225 | 147 | |
| RMSDbond (Å)c | 0.009 | 0.002 | |
| RMSDangle (°)c | 1.218 | 0.634 | |
| Wilson B factor (Å2) | 46.7 | 56.8 | |
| Average B factor (Å2) of | |||
| All atoms | 25.2 | 61.0 | |
| Main chain | 24.7 | 60.9 | |
| Side chain | 26.3 | 61.1 | |
| Waters/Sulfate | 19.2 | 59.4 | |
| Ramachandran plot, residues in (%) | |||
| Favored | 95.2 | 93.2 | |
| Allowed | 3.8 | 5.1 | |
| Outliers | 1.0 | 1.7 | |
| PDB entryd | 4JC8 | 4KMO | |
a
Multiwavelength anomalous diffraction.
b
Values in parentheses are for the highest resolution shell.
c
RMSD, root mean square deviation.
d
Protein Data Bank.