2POQ
Dimeric Dihydrodiol Dehydrogenase complexed with inhibitor, Isoascorbic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-02-11 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 122.832, 122.832, 121.293 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.590 |
| R-factor | 0.17035 |
| Rwork | 0.167 |
| R-free | 0.23410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2o4u |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.105 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.680 |
| High resolution limit [Å] | 2.590 | 2.590 |
| Number of reflections | 17128 | |
| <I/σ(I)> | 16.5 | |
| Completeness [%] | 99.3 | 98 |
| Redundancy | 3.6284 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 295 | 2M ammonium sulphate, 0.1 sodium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
