3NUR
Crystal structure of a putative amidohydrolase from Staphylococcus aureus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-27 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9796 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 83.289, 99.160, 92.126 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.780 - 1.750 |
| R-factor | 0.1705 |
| Rwork | 0.169 |
| R-free | 0.19560 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.020 |
| 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] | 92.130 | 1.850 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.126 | 0.541 |
| Number of reflections | 38713 | |
| <I/σ(I)> | 18.02 | 4.22 |
| Completeness [%] | 99.8 | 98.5 |
| Redundancy | 14.11 | 13.98 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | 35% PEG400, 0.2M Calcium Acetate, 0.1M Sodium Cacodylate, 0.2M Lithium Citrate, pH 6.5, VAPOR DIFFUSION, temperature 293K |
