4L04
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 | P 21 21 21 |
Unit cell lengths | 96.410, 116.622, 275.729 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.240 - 2.870 |
R-factor | 0.2028 |
Rwork | 0.200 |
R-free | 0.25850 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.140 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.000 |
High resolution limit [Å] | 2.866 | 6.240 | 2.866 |
Rmerge | 0.130 | 0.089 | 0.631 |
Number of reflections | 70831 | ||
<I/σ(I)> | 8.6 | ||
Completeness [%] | 99.0 | 99.5 | 96.5 |
Redundancy | 6.4 | 6.8 | 6.3 |
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 |