2HAY
The Crystal Structure of the Putative NAD(P)H-Flavin Oxidoreductase from Streptococcus pyogenes M1 GAS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-06-04 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97937 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.205, 91.874, 175.693 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.710 - 2.110 |
R-factor | 0.18034 |
Rwork | 0.175 |
R-free | 0.23246 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.434 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.2.0000) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.190 |
High resolution limit [Å] | 2.110 | 2.110 |
Rmerge | 0.138 | 0.430 |
Number of reflections | 55236 | |
<I/σ(I)> | 9.2 | 4.04 |
Completeness [%] | 96.2 | 73.5 |
Redundancy | 8 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 282 | 0.2M Ammonium Sulfate 0.1M MES pH 6.5 30% PEG 5000 MME and Flavin, VAPOR DIFFUSION, SITTING DROP, temperature 282K |