2QFW
Crystal structure of Saccharomyces cerevesiae mitochondrial NADP(+)-dependent isocitrate dehydrogenase in complex with isocitrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 95 |
Detector technology | IMAGE PLATE |
Collection date | 2005-08-22 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 74.699, 97.886, 190.651 |
Unit cell angles | 90.00, 98.95, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.600 |
R-factor | 0.235 |
Rwork | 0.232 |
R-free | 0.29200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lwd |
RMSD bond length | 0.005 |
RMSD bond angle | 0.890 |
Data reduction software | CrystalClear |
Data scaling software | d*TREK (7.1SSI) |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.900 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.060 | 0.228 |
Total number of observations | 22349 | |
Number of reflections | 82166 | |
<I/σ(I)> | 9 | 2 |
Completeness [%] | 98.4 | 99.9 |
Redundancy | 2.62 | 2.66 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 0.1M HEPES-Na, 0.2M Li2SO4, 0.1M NaF, 20% PEG 4000, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |