3K20
X-ray structure of oxidoreductase from corynebacterium diphtheriae,hexagonal crystal form. northeast structural genomics consortium target cdr100d
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-08-04 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 99.839, 99.839, 137.309 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.510 - 2.500 |
R-factor | 0.23 |
Rwork | 0.229 |
R-free | 0.24600 |
Structure solution method | MAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.275 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.4_115) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.066 | 0.311 |
Number of reflections | 26206 | |
<I/σ(I)> | 19.1 | 2.9 |
Completeness [%] | 98.7 | 98.7 |
Redundancy | 3.8 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5) . Reservoir solution:2.2M ammonium sulfate, 0.1M sodium acetate, 3% ethanol, VAPOR DIFFUSION, HANGING DROP |