3MAS
Crystal structure of heterodimeric R132H mutant of human cytosolic NADP(+)-dependent isocitrate dehydrogenase in complex with NADP and isocitrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-06-23 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 83.136, 83.136, 308.508 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.547 - 3.200 |
R-factor | 0.235 |
Rwork | 0.233 |
R-free | 0.28300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t09 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.756 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.5_2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.310 |
High resolution limit [Å] | 3.200 | 6.890 | 3.200 |
Rmerge | 0.114 | 0.033 | 0.596 |
Number of reflections | 18264 | ||
<I/σ(I)> | 5.9 | ||
Completeness [%] | 96.8 | 89.4 | 99.9 |
Redundancy | 7.1 | 5 | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1M HEPES-Na, 2% PEG 400, 2.0M (NH4)2SO4, pH 7.5, vapor diffusion, hanging drop, temperature 293K |