2EII
Crystal analysis of delta1-pyrroline-5-carboxylate dehydrogenase from Thermus thermophilus with bound L-valine 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 | 2006-06-07 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | H 3 |
| Unit cell lengths | 102.208, 102.208, 278.432 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.880 |
| R-factor | 0.13556 |
| Rwork | 0.134 |
| R-free | 0.16812 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2j40 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.295 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 92.850 | 1.950 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.037 | 0.108 |
| Number of reflections | 87940 | |
| <I/σ(I)> | 33.9 | 7.5 |
| Completeness [%] | 99.4 | 99.4 |
| Redundancy | 3.5 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.2 | 293 | 30% MPD, 50MM SODIUM CITRATE/HCL, 5mM NAD+, 50mM L-valine, 100MM SODIUM Acetate, pH 5.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
