7AOB
Crystal structure of Thermaerobacter marianensis malate dehydrogenase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979968 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.910, 150.480, 153.970 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.940 - 2.120 |
R-factor | 0.164 |
Rwork | 0.162 |
R-free | 0.20500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nep |
RMSD bond length | 0.009 |
RMSD bond angle | 1.483 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.940 | 2.250 |
High resolution limit [Å] | 2.120 | 2.120 |
Number of reflections | 86293 | 14044 |
<I/σ(I)> | 11.8 | 3.88 |
Completeness [%] | 93.0 | 93.8 |
Redundancy | 3 | |
CC(1/2) | 0.990 | 0.887 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 293 | 20% PEG 20K, 100 mM pH 7,0, 5% glycerol |