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 |
