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 |