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 |