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 |