4E0B
2.17 Angstrom resolution crystal structure of malate dehydrogenase from Vibrio vulnificus CMCP6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-12 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.040, 80.760, 99.430 |
| Unit cell angles | 90.00, 109.42, 90.00 |
Refinement procedure
| Resolution | 29.200 - 2.170 |
| R-factor | 0.165 |
| Rwork | 0.163 |
| R-free | 0.20700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hhp |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.270 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MRBUMP/MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.210 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.114 | 0.679 |
| Number of reflections | 62995 | |
| <I/σ(I)> | 13.87 | 2.19 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 5.3 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 295 | Protein: 3.3 mg/mL. Crystallization conditions: 30%PEG 8K, 0.2M Na Acetate , 0.1M Bis-Tris pH 7.0. , VAPOR DIFFUSION, HANGING DROP, temperature 295K |
