4DLL
Crystal structure of a 2-hydroxy-3-oxopropionate reductase from Polaromonas sp. JS666
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 | 2012-02-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 |
| Unit cell lengths | 39.868, 47.010, 77.498 |
| Unit cell angles | 92.14, 95.30, 101.19 |
Refinement procedure
| Resolution | 38.520 - 2.110 |
| R-factor | 0.22133 |
| Rwork | 0.218 |
| R-free | 0.27825 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vpd |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.882 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.190 |
| High resolution limit [Å] | 2.110 | 2.110 |
| Rmerge | 0.060 | 0.300 |
| Number of reflections | 29628 | |
| <I/σ(I)> | 8.6 | 2.5 |
| Completeness [%] | 93.6 | 77.4 |
| Redundancy | 3.1 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2M NaCl, 0.1M Bis-tris pH 6.5, 25% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
