3L6D
Crystal structure of putative oxidoreductase from Pseudomonas putida KT2440
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-19 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.342, 37.647, 104.252 |
| Unit cell angles | 90.00, 93.35, 90.00 |
Refinement procedure
| Resolution | 19.940 - 1.900 |
| R-factor | 0.211 |
| Rwork | 0.208 |
| R-free | 0.26000 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.455 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.820 |
| High resolution limit [Å] | 1.760 | 3.790 | 1.760 |
| Rmerge | 0.082 | 0.054 | |
| Number of reflections | 51537 | ||
| <I/σ(I)> | 5 | ||
| Completeness [%] | 96.3 | 93.8 | 89.5 |
| Redundancy | 3 | 3 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 100mM Hepes pH 7.5, 25% PEG 3350, 200mM Magnesium Chloride hexahydrate, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
