5J4H
Structure of humanised RadA-mutant humRadA22F in complex with indole-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 | 40.459, 61.122, 87.767 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.157 - 1.374 |
R-factor | 0.1342 |
Rwork | 0.132 |
R-free | 0.16980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | apo_structure |
RMSD bond length | 0.004 |
RMSD bond angle | 0.865 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.122 | 1.378 |
High resolution limit [Å] | 1.374 | 1.374 |
Rmerge | 0.056 | 0.662 |
Number of reflections | 44591 | |
<I/σ(I)> | 17.7 | 2 |
Completeness [%] | 96.5 | 76.7 |
Redundancy | 5.3 | 4.4 |
CC(1/2) | 0.999 |
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% PEG 8000, 20% glycerol soaking: 10% DMSO, 5mM compound |