4HDS
Crystal Structure of ArsAB in Complex with Phenol.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-28 |
Detector | Bruker Platinum 135 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.547, 77.213, 151.522 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 75.760 - 2.400 |
R-factor | 0.207 |
Rwork | 0.205 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.725 |
Data reduction software | SAINT |
Data scaling software | SADABS |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.760 | 2.450 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.192 | 0.528 |
Number of reflections | 24812 | |
<I/σ(I)> | 26.8 | 8.7 |
Completeness [%] | 99.5 | 96.8 |
Redundancy | 8.9 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.1 | 298 | 13% MEPEG5K, 100 mM MOPS pH 7.1 , VAPOR DIFFUSION, HANGING DROP, temperature 298K |