3LC6
The alternative conformation structure of isocitrate dehydrogenase kinase/phosphatase from E. Coli
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 270 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.145, 133.757, 187.339 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 3.100 |
R-factor | 0.289 |
Rwork | 0.287 |
R-free | 0.33200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.582 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 10.000 | 3.210 |
High resolution limit [Å] | 3.100 | 3.100 |
Rmerge | 0.101 | 0.280 |
Number of reflections | 27965 | |
<I/σ(I)> | 15.1 | 4.8 |
Completeness [%] | 98.5 | |
Redundancy | 3 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.8 | 295 | 12% PEG 8000, 0.001M calcium chloride, 0.2M magnesium chloride, 0.1M MES 15% Glycerol, 0.002M DTT, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K |