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 |