4MSL
Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF40431
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-05-14 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 0.9000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 160.876, 79.165, 111.700 |
| Unit cell angles | 90.00, 127.27, 90.00 |
Refinement procedure
| Resolution | 46.954 - 2.700 |
| R-factor | 0.2058 |
| Rwork | 0.205 |
| R-free | 0.22730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.260 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.000 | 47.000 | 2.900 |
| High resolution limit [Å] | 2.700 | 8.500 | 2.700 |
| Rmerge | 0.039 | 0.018 | 0.474 |
| Number of reflections | 30847 | ||
| <I/σ(I)> | 19 | 26.3 | 1.6 |
| Completeness [%] | 99.9 | 99.3 | 99.7 |
| Redundancy | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 292 | 0.1 M HEPES-Tris, 0.4 M sodium malonate, 26 % (w/v) PEG 3350, 8 % (v/v) glycerol, pH 7.3, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
