3P8K
Crystal Structure of a putative carbon-nitrogen family hydrolase from Staphylococcus aureus
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-03 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.580, 61.980, 155.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.960 - 1.700 |
| R-factor | 0.199 |
| Rwork | 0.197 |
| R-free | 0.23020 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.140 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHARP |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 61246 | |
| <I/σ(I)> | 18.1 | 2.83 |
| Completeness [%] | 97.9 | 85.5 |
| Redundancy | 25 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.2 | 293 | 0.2M magnesium chloride, 0.1M TRIS, pH 8.2, 25% PEG 3350, VAPOR DIFFUSION, temperature 293K |
