4UMY
IDH1 R132H in complex with cpd 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-26 |
Detector | MARRESEARCH |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 82.680, 82.680, 300.370 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.340 - 2.070 |
R-factor | 0.2015 |
Rwork | 0.200 |
R-free | 0.22380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t09 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.040 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNX |
Refinement software | BUSTER (2.11.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.400 | 2.140 |
High resolution limit [Å] | 2.070 | 2.070 |
Rmerge | 0.060 | 0.540 |
Number of reflections | 64610 | |
<I/σ(I)> | 31.3 | 4.36 |
Completeness [%] | 99.4 | 99.1 |
Redundancy | 9.7 | 9.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | PEG 5000 MME 22% - BIS-TRIS 100MM PH 6.5 - AMMONIUM SULFATE 220 MM |