5KVV
Structure of Malate Dehydrogenase in complex with NADH from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 2014-07-16 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.206, 78.169, 154.402 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.127 - 2.010 |
R-factor | 0.1751 |
Rwork | 0.173 |
R-free | 0.21780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kde |
RMSD bond length | 0.007 |
RMSD bond angle | 1.180 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.040 |
High resolution limit [Å] | 2.010 | 5.450 | 2.010 |
Rmerge | 0.097 | 0.056 | 0.307 |
Number of reflections | 39215 | ||
<I/σ(I)> | 13.3 | ||
Completeness [%] | 91.3 | 84.6 | 91.7 |
Redundancy | 4.4 | 4.1 | 4.5 |
CC(1/2) | 0.994 | 0.933 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.1 M Bis-Tris, 0.2 M Magnesium chloride hexahydrate, 25% PEG 3,350 |