2QRU
Crystal structure of an alpha/beta hydrolase superfamily protein from Enterococcus faecalis
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-20 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 0.97878, 0.97894 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.352, 50.413, 64.683 |
| Unit cell angles | 90.00, 110.27, 90.00 |
Refinement procedure
| Resolution | 33.300 - 1.650 |
| R-factor | 0.168 |
| Rwork | 0.167 |
| R-free | 0.19900 |
| Structure solution method | MAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.350 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.068 | 0.491 |
| Number of reflections | 36066 | |
| <I/σ(I)> | 9.1 | 1.92 |
| Completeness [%] | 99.0 | 94.5 |
| Redundancy | 6.8 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.01M MgCl2, 10% PEG 6000, 0.1M Tris-HCl pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
