2J5N
1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE FROM THERMUS THERMOPHIRUS WITH BOUND INHIBITOR GLYCINE AND NAD.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-03 |
| Detector | RIGAKU-MSC |
| Spacegroup name | H 3 |
| Unit cell lengths | 102.589, 102.589, 278.637 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 92.850 - 1.630 |
| R-factor | 0.147 |
| Rwork | 0.146 |
| R-free | 0.17400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bhp |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.224 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC (5) |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.670 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.070 | 0.380 |
| Number of reflections | 135842 | |
| <I/σ(I)> | 23.2 | 2.3 |
| Completeness [%] | 99.7 | 95.9 |
| Redundancy | 4.4 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.2 | PROTEIN WAS CRYSTALLIZED FROM 37.5% MPD, 50 MM SODIUM CITRATE, PH 5.2; THEN SOAKED IN 5MM NAD, 50MM GLYCINE, 50 MM SODIUM ACETATE PH5.2. |
