3V4C
Crystal structure of a semialdehyde dehydrogenase from Sinorhizobium meliloti 1021
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-11-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 187.197, 46.079, 117.404 |
Unit cell angles | 90.00, 104.76, 90.00 |
Refinement procedure
Resolution | 46.290 - 1.910 |
R-factor | 0.17406 |
Rwork | 0.171 |
R-free | 0.22522 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1eyy |
RMSD bond length | 0.025 |
RMSD bond angle | 2.001 |
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 | 1.980 |
High resolution limit [Å] | 1.910 | 1.910 |
Rmerge | 0.038 | 0.110 |
Number of reflections | 75865 | |
<I/σ(I)> | 13.5 | 9 |
Completeness [%] | 99.6 | 98.3 |
Redundancy | 6.3 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2M Sodium acetate trihydrate, 0.1M Tris hydrochloride, 30% PEG 4K, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |