5MRH
Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with Triazolone 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-02-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 162.395, 78.230, 111.796 |
| Unit cell angles | 90.00, 127.20, 90.00 |
Refinement procedure
| Resolution | 40.133 - 2.500 |
| R-factor | 0.2121 |
| Rwork | 0.211 |
| R-free | 0.23310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f6k |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.936 |
| 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] | 66.900 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.063 | 0.956 |
| Number of reflections | 38075 | |
| <I/σ(I)> | 11.4 | 1.2 |
| Completeness [%] | 98.7 | 98.9 |
| Redundancy | 3.4 | 3.6 |
| CC(1/2) | 0.998 | 0.682 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 292 | 0.1M HEPES-Tris pH=7.3 0.4 M Sodium malonate 22 % (w/V) PEG 3350 8 (V/V) glycerol |
