5YHE
The crystal structure of Staphylococcus aureus CntA in complex with staphylopine and cobalt
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 77 |
| Detector technology | PIXEL |
| Collection date | 2017-03-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9778 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.605, 76.659, 85.673 |
| Unit cell angles | 90.68, 91.25, 104.57 |
Refinement procedure
| Resolution | 36.776 - 2.465 |
| R-factor | 0.1649 |
| Rwork | 0.161 |
| R-free | 0.23450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.995 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.465 |
| Number of reflections | 37030 |
| <I/σ(I)> | 11.1 |
| Completeness [%] | 98.0 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.1M BICINE pH 8.5, 8%(w/v) Polyethylene glycol monomethyl ether 5000 |
