7E2W
Crystal structure of isocitrate dehydrogenase from Ostreococcus tauri in complex with isocitrate and magnesium(II)
Replaces: 6IXUExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-04-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97915 |
Spacegroup name | P 1 |
Unit cell lengths | 66.250, 78.511, 111.056 |
Unit cell angles | 89.15, 103.59, 111.89 |
Refinement procedure
Resolution | 19.950 - 1.800 |
R-factor | 0.2095 |
Rwork | 0.208 |
R-free | 0.23920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ixl |
RMSD bond length | 0.010 |
RMSD bond angle | 1.519 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.039 | |
Number of reflections | 177015 | 26019 |
<I/σ(I)> | 14.4 | |
Completeness [%] | 94.9 | |
Redundancy | 2.2 | |
CC(1/2) | 0.998 | 0.840 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 286 | 20% PEG 4000, 10% 2-propanol, 0.1 M sodium citrate (pH 5.5). |