3UHJ
Crystal structure of a probable glycerol dehydrogenase from Sinorhizobium meliloti 1021
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 | 2011-10-31 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 |
Unit cell lengths | 79.483, 98.996, 104.734 |
Unit cell angles | 76.94, 83.38, 71.47 |
Refinement procedure
Resolution | 45.980 - 2.340 |
R-factor | 0.1999 |
Rwork | 0.197 |
R-free | 0.26358 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kq3 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.821 |
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 | 2.420 |
High resolution limit [Å] | 2.340 | 2.340 |
Rmerge | 0.070 | 0.500 |
Number of reflections | 121795 | |
<I/σ(I)> | 8.2 | 2.5 |
Completeness [%] | 98.3 | 95.8 |
Redundancy | 4 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.2M NACL, 0.1M Bis-tris, 25% PEG 3350, 0.2M NDSB 221, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |