4AJR
3D structure of E. coli Isocitrate Dehydrogenase K100M mutant in complex with alpha-ketoglutarate, magnesium(II) and NADPH - The product complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 105.788, 105.788, 145.488 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.894 - 2.687 |
R-factor | 0.1628 |
Rwork | 0.160 |
R-free | 0.20910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ai2 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.139 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.000 | 2.850 |
High resolution limit [Å] | 2.690 | 2.690 |
Rmerge | 0.120 | 0.840 |
Number of reflections | 23556 | |
<I/σ(I)> | 15.2 | 2.8 |
Completeness [%] | 99.5 | 97.5 |
Redundancy | 8.6 | 8.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 1.85 M NH4SO4, 50 MM CITRIC ACID/NA2HPO4 BUFFER PH 5.2, 0.1 M NACL AND 0.2 M DTT |