3E9M
Crystal Structure of an oxidoreductase from Enterococcus faecalis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 300 |
| Detector technology | CCD |
| Collection date | 2008-07-13 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.918, 146.925, 80.531 |
| Unit cell angles | 90.00, 100.84, 90.00 |
Refinement procedure
| Resolution | 37.120 - 2.700 |
| R-factor | 0.233 |
| Rwork | 0.233 |
| R-free | 0.29400 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.700 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD (& SHARP) |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.870 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.075 | 0.500 |
| Number of reflections | 37176 | |
| <I/σ(I)> | 9.8 | 2 |
| Completeness [%] | 100.0 | 76.9 |
| Redundancy | 9.3 | 9.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 300 | 28% polyethylene Glycol Monomethyl ether 2000, 0.1M Bis-Tris., pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K |
