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 |
