8AUP
Structure of hARG1 with a novel inhibitor.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 67.360, 52.750, 283.600 |
Unit cell angles | 90.00, 90.65, 90.00 |
Refinement procedure
Resolution | 49.110 - 2.170 |
R-factor | 0.2076 |
Rwork | 0.207 |
R-free | 0.24010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gwd |
RMSD bond length | 0.003 |
RMSD bond angle | 0.599 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.110 | 2.300 |
High resolution limit [Å] | 2.170 | 2.170 |
Number of reflections | 105864 | 16919 |
<I/σ(I)> | 6.1 | |
Completeness [%] | 99.5 | |
Redundancy | 3.75 | |
CC(1/2) | 0.990 | 0.620 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | MPD, PEG 1000, PEG 3350, HEPES-Na, MOPS, hexanediol, butanol, propandiol, propanol, butandiol, propandiol |