5AJ9
G7 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-09-14 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 184.399, 66.496, 89.435 |
| Unit cell angles | 90.00, 93.84, 90.00 |
Refinement procedure
| Resolution | 91.990 - 2.000 |
| R-factor | 0.20302 |
| Rwork | 0.201 |
| R-free | 0.24779 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.706 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.300 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.080 | 0.550 |
| Number of reflections | 67936 | |
| <I/σ(I)> | 9.1 | 1.9 |
| Completeness [%] | 92.6 | 50.4 |
| Redundancy | 2.7 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 32% PEG 5000 MME, 0.2M (NH4)2SO4, 0.1M MES PH 6.3 |
