4CXK
G9 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-07-08 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 188.298, 67.061, 90.050 |
Unit cell angles | 90.00, 94.04, 90.00 |
Refinement procedure
Resolution | 93.920 - 1.860 |
R-factor | 0.20997 |
Rwork | 0.208 |
R-free | 0.25426 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hdh |
RMSD bond length | 0.019 |
RMSD bond angle | 1.828 |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.320 | 1.870 |
High resolution limit [Å] | 1.860 | 1.860 |
Rmerge | 0.160 | 0.680 |
Number of reflections | 92130 | |
<I/σ(I)> | 7.8 | 2 |
Completeness [%] | 98.2 | 95.4 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.3 | 0.1M MES PH=6.3, 28% W/V PEG5000MME, 0.25M (NH4)2SO4 |