5N9M
Crystal structure of GatD - a glutamine amidotransferase from Staphylococcus aureus involved in peptidoglycan amidation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-17 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.610, 93.920, 110.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.435 - 1.850 |
| R-factor | 0.1505 |
| Rwork | 0.149 |
| R-free | 0.18630 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.994 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.440 | 1.893 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rpim | 0.022 | 0.149 |
| Number of reflections | 42987 | |
| <I/σ(I)> | 2.2 | 5.2 |
| Completeness [%] | 97.9 | 99.9 |
| Redundancy | 21.7 | 20.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 30%(w/v) PEG 400, 100 mM sodium acetate/ acetic acid pH 4.5, 200 mM calcium acetate |
