4CYR
G4 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-02 |
Detector | ADSC CCD |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 188.496, 67.682, 89.518 |
Unit cell angles | 90.00, 93.93, 90.00 |
Refinement procedure
Resolution | 94.030 - 1.720 |
R-factor | 0.17717 |
Rwork | 0.176 |
R-free | 0.20306 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.020 |
RMSD bond angle | 1.962 |
Data reduction software | AutoPROC |
Data scaling software | Aimless |
Phasing software | AMoRE |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.090 | 1.720 |
High resolution limit [Å] | 1.720 | 1.720 |
Rmerge | 0.080 | 0.530 |
Number of reflections | 119433 | |
<I/σ(I)> | 12.6 | 2.2 |
Completeness [%] | 99.3 | 99.1 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.3 | 0.1 M MES PH 6.3, 27 % (W/V) PEG 5000 MME, 0.16 M AMMONIUM SULFATE |