5J4K
Structure of humanised RadA-mutant humRadA22F in complex with 1-Indane-6-carboxylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-07-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.440, 61.214, 87.742 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.204 - 1.346 |
R-factor | 0.1302 |
Rwork | 0.129 |
R-free | 0.16380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | apo_structure |
RMSD bond length | 0.008 |
RMSD bond angle | 1.119 |
Data reduction software | autoPROC |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.204 | 1.350 |
High resolution limit [Å] | 1.346 | 1.346 |
Rmerge | 0.045 | 0.707 |
Number of reflections | 46330 | |
<I/σ(I)> | 24.9 | 2.1 |
Completeness [%] | 94.4 | 58.5 |
Redundancy | 6.3 | 5.3 |
CC(1/2) | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 0.08M NaCacodylate pH=6.5, 0.16M CaAcetate, 18% PEG8000, 20%glycerol soaking: 10% DMSO, 5mM compound |