5YH8
The crystal structure of Staphylococcus aureus CntA in complex with staphylopine and nickel
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NFPSS BEAMLINE BL19U1 |
| Synchrotron site | NFPSS |
| Beamline | BL19U1 |
| Temperature [K] | 77 |
| Detector technology | PIXEL |
| Collection date | 2017-03-09 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 70.782, 85.474, 86.315 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 70.880 - 2.120 |
| R-factor | 0.15926 |
| Rwork | 0.155 |
| R-free | 0.22891 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.822 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 70.880 |
| High resolution limit [Å] | 2.120 |
| Number of reflections | 30251 |
| <I/σ(I)> | 16.1 |
| Completeness [%] | 99.9 |
| Redundancy | 12.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.1 M Citric acid pH 3.5, 14% (w/v) Polyethylene glycol 1000 |
