3OET
D-Erythronate-4-Phosphate Dehydrogenase complexed with NAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-12 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 93.279, 167.765, 103.949 |
| Unit cell angles | 90.00, 93.88, 90.00 |
Refinement procedure
| Resolution | 30.190 - 2.360 |
| R-factor | 0.19346 |
| Rwork | 0.190 |
| R-free | 0.25331 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDBID 2O4C |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.460 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-3000 |
| Phasing software | MrBUMP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 103.700 | 2.390 |
| High resolution limit [Å] | 2.360 | 2.360 |
| Rmerge | 0.080 | 0.640 |
| Number of reflections | 128763 | |
| <I/σ(I)> | 20.3 | 2.9 |
| Completeness [%] | 99.5 | 99.9 |
| Redundancy | 6.6 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 25% PEG 3350,0.2M NH4 Acetate, 0.1M Bis-Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
