1V94
Crystal structure of isocitrate dehydrogenase from Aeropyrum pernix
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-6A |
Synchrotron site | Photon Factory |
Beamline | BL-6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-05-30 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 107.863, 107.863, 172.858 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.980 - 2.280 |
R-factor | 0.215 |
Rwork | 0.215 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4icd |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.360 |
High resolution limit [Å] | 2.280 | 2.280 |
Number of reflections | 47175 | |
<I/σ(I)> | 31.3 | 5.3 |
Completeness [%] | 99.7 | 99.4 |
Redundancy | 7.9 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 298 | PEG3350, ammonium citrate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |