4UMX
IDH1 R132H in complex with cpd 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-05-09 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 81.408, 81.408, 305.917 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 78.670 - 1.880 |
Rwork | 0.182 |
R-free | 0.21120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mar |
RMSD bond length | 0.010 |
RMSD bond angle | 1.020 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | BUSTER (2.11.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 305.900 | 1.880 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.110 | 0.660 |
Number of reflections | 85717 | |
<I/σ(I)> | 17.8 | 3.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 14 | 9.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | PEG 8K 26%, TRIS 100MM PH 8, MALONATE NA 200MM |