5MRI
Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with Triazolone 18
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.969 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 158.296, 81.058, 105.690 |
| Unit cell angles | 90.00, 131.10, 90.00 |
Refinement procedure
| Resolution | 43.915 - 2.000 |
| R-factor | 0.1958 |
| Rwork | 0.195 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f6k |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.761 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((dev_2614: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.076 | 0.096 |
| Number of reflections | 67029 | |
| <I/σ(I)> | 9.1 | 1.3 |
| Completeness [%] | 98.4 | 98.8 |
| Redundancy | 2.8 | 2.9 |
| CC(1/2) | 0.998 | 0.660 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 292 | 0.1 M HEPES-Tris pH 7.3 0.4 M Sodium malonate 6 % (V/V) glycerol 26 % (w/V) PEG 3350 |
