5KKA
E. coli malate dehydrogenase with the inhibitor 6DHNAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-05-20 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.530, 83.832, 89.275 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.400 - 1.750 |
R-factor | 0.1554 |
Rwork | 0.154 |
R-free | 0.18070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hhp |
RMSD bond length | 0.010 |
RMSD bond angle | 1.103 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX (1.10_2155) |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.400 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.075 | 0.548 |
Number of reflections | 58987 | |
<I/σ(I)> | 14.3 | 2.6 |
Completeness [%] | 99.2 | 94 |
Redundancy | 4.9 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 0.1 M MES, pH 6.0, 21% PEG 6,000 |