3A2Z
E. coli Gsp amidase Cys59 sulfenic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-29 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 83.902, 83.902, 106.531 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.000 - 1.500 |
Rwork | 0.180 |
R-free | 0.20400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2iob |
RMSD bond length | 0.020 |
RMSD bond angle | 1.866 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.051 | 0.597 |
Number of reflections | 35956 | |
<I/σ(I)> | 77.6 | 5.3 |
Completeness [%] | 99.8 | |
Redundancy | 17 | 15.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 4.5 | 298 | 0.1M acetate, 0.8M NaH2PO4, 1.2M K2HPO4, pH 4.5, EVAPORATION, temperature 298K |