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 |
