4L03
Crystal Structure Analysis of human IDH1 mutants in complex with NADP+ and Ca2+/alpha-Ketoglutarate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.9786 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 96.188, 275.383, 116.332 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.980 - 2.100 |
R-factor | 0.1909 |
Rwork | 0.189 |
R-free | 0.23040 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.837 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
Rmerge | 0.084 | 0.037 | 0.663 |
Number of reflections | 89700 | ||
<I/σ(I)> | 9.9 | ||
Completeness [%] | 99.5 | 99.7 | 98 |
Redundancy | 4.8 | 4.7 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.9 | 298 | 16-20% PEG MME 2000, 100mM MES, pH 6.9, vapor diffusion, temperature 298K |