5UJK
Malate dehydrogenase from Methylobacterium extorquens, complexed with NAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-02-10 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97949 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 108.189, 108.189, 104.321 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 54.090 - 1.530 |
R-factor | 0.12628 |
Rwork | 0.124 |
R-free | 0.17726 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4rop |
RMSD bond length | 0.019 |
RMSD bond angle | 1.791 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.090 | 1.560 |
High resolution limit [Å] | 1.530 | 1.530 |
Rmerge | 0.108 | 0.800 |
Rpim | 0.033 | 0.357 |
Number of reflections | 54696 | 2651 |
<I/σ(I)> | 12.1 | 2.2 |
Completeness [%] | 100.0 | 99.8 |
Redundancy | 10.6 | 9 |
CC(1/2) | 0.998 | 0.733 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 25-28% PEG400, 180-220mM CaCl2, 0.1M Hepes pH 7.5, soaked with 1mM NAD |