3K1Y
X-ray structure of oxidoreductase from corynebacterium diphtheriae. orthorombic 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 | C 2 2 21 |
| Unit cell lengths | 87.170, 141.379, 201.565 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.880 - 2.500 |
| R-factor | 0.229 |
| Rwork | 0.229 |
| R-free | 0.24100 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.339 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| 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 | 0.124 | 0.419 |
| Number of reflections | 43361 | |
| <I/σ(I)> | 17.9 | 4.6 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7.7 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 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. pH 4.6. VAPOR DIFFUSION, HANGING DROP |
