3A30
E. coli Gsp amidase C59 acetate modification
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 83.510, 83.510, 105.840 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.250 - 2.200 |
| Rwork | 0.200 |
| R-free | 0.24870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2iob |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.239 |
| 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] | 30.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.092 | 0.609 |
| Number of reflections | 11604 | |
| <I/σ(I)> | 34.8 | 5.9 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 10.1 | 10.3 |
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 |
