4AJS
3D structure of E. coli Isocitrate Dehydrogenase K100M mutant in complex with isocitrate, magnesium(II), Adenosine 2',5'-biphosphate and ribosylnicotinamide-5'-phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 103.585, 103.585, 149.680 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.325 - 1.802 |
R-factor | 0.1702 |
Rwork | 0.169 |
R-free | 0.19190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ai2 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.041 |
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] | 50.000 | 1.910 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.130 | 0.710 |
Number of reflections | 75372 | |
<I/σ(I)> | 12.3 | 2.6 |
Completeness [%] | 99.7 | 98.5 |
Redundancy | 11.3 | 10.8 |
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. |