4KDE
Crystal Structure of the Apo Form of Thermus thermophilus Malate Dehydrogenase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13C1 |
Synchrotron site | NSRRC |
Beamline | BL13C1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-05-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.173, 86.006, 118.117 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.860 - 1.798 |
R-factor | 0.1448 |
Rwork | 0.144 |
R-free | 0.16980 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.050 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.860 |
High resolution limit [Å] | 1.798 | 1.798 |
Rmerge | 0.061 | 0.301 |
Number of reflections | 67995 | |
<I/σ(I)> | 27.713 | 6.11 |
Completeness [%] | 99.9 | 99.5 |
Redundancy | 6 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.2 | 283 | 22.5% PEG 4000, 1.0M Tris-HCl, 0.2M MgCl2, pH 8.2, VAPOR DIFFUSION, SITTING DROP, temperature 283K |