3EVN
CRYSTAL STRUCTURE OF putative oxidoreductase from Streptococcus agalactiae 2603V/r
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 65.090, 65.090, 291.730 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.540 - 2.000 |
| R-factor | 0.209 |
| Rwork | 0.205 |
| R-free | 0.28500 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.730 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.060 |
| High resolution limit [Å] | 1.990 | 4.290 | 1.990 |
| Rmerge | 0.063 | 0.035 | 0.388 |
| Number of reflections | 37904 | ||
| <I/σ(I)> | 35.361 | ||
| Completeness [%] | 79.7 | 98.7 | 34.3 |
| Redundancy | 7.1 | 7.7 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294 | 18% peg8000, 0.1M na cacodylate, ph 6.5, 0.2 M calcium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
