6ITK
Crystal structure of malate dehydrogenase from Corynebacterium glutamicum ATCC 13032 in complex with NAD and malate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-12-18 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97934 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 102.931, 116.940, 66.003 |
Unit cell angles | 90.00, 95.31, 90.00 |
Refinement procedure
Resolution | 26.730 - 2.000 |
R-factor | 0.1918 |
Rwork | 0.190 |
R-free | 0.22910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4tvo |
RMSD bond length | 0.010 |
RMSD bond angle | 1.624 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 77.080 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.123 | 0.390 |
Number of reflections | 50050 | 2392 |
<I/σ(I)> | 18 | |
Completeness [%] | 96.3 | 93 |
Redundancy | 2.7 | |
CC(1/2) | 0.792 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | PEG 3350, HEPES, MgCl2 |