3WDS
Crystal structure of 3-quinuclidinone reductase from Agrobacterium tumefaciens
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.970, 126.370, 62.020 |
| Unit cell angles | 90.00, 110.50, 90.00 |
Refinement procedure
| Resolution | 19.840 - 1.720 |
| R-factor | 0.15124 |
| Rwork | 0.150 |
| R-free | 0.18314 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1geg |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.025 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.760 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Number of reflections | 92664 | |
| <I/σ(I)> | 5.1 | |
| Completeness [%] | 97.9 | 80.7 |
| Redundancy | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1M HEPES, 24%(w/v) PEG3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
