4HKT
Crystal structure of a putative myo-inositol dehydrogenase from Sinorhizobium meliloti 1021 (Target PSI-012312)
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 | 2012-06-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97910 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 90.449, 55.467, 149.091 |
Unit cell angles | 90.00, 97.56, 90.00 |
Refinement procedure
Resolution | 41.000 - 2.000 |
R-factor | 0.188 |
Rwork | 0.186 |
R-free | 0.23170 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.401 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | SHELX (C) |
Refinement software | REFMAC (5.7.0025) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 99392 | |
<I/σ(I)> | 16.87 | 3.64 |
Completeness [%] | 99.8 | 97.3 |
Redundancy | 6.2 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | Protein (20 mM Hepes, pH 7.5, 150 mM NaCl, 10% glycerol, Reservoir (MCSG1 #93; H9: 0.1 M Bis-Tris:HCl pH 5.5, 25% (w/v) PEG 3350 ), Cryoprotection (30% Ethylene glycol), VAPOR DIFFUSION, SITTING DROP, temperature 298K |