4JWL
Complexe of ARNO Sec7 domain with the protein-protein interaction inhibitor N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide at pH7.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-17 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.93340 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.750, 66.090, 90.210 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.780 - 1.950 |
R-factor | 0.1707 |
Rwork | 0.166 |
R-free | 0.25555 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jmi |
RMSD bond length | 0.013 |
RMSD bond angle | 1.605 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 30.780 |
High resolution limit [Å] | 1.950 |
Number of reflections | 13638 |
Completeness [%] | 96.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1M MGSO4, 18% PEG 5000 MME, 0.1M MES PH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |