2ZMD
Crystal structure of human Mps1 catalytic domain T686A mutant in complex with SP600125 inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 94 |
Detector technology | IMAGE PLATE |
Collection date | 2007-09-11 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 70.600, 105.170, 111.970 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.490 - 2.880 |
R-factor | 0.22314 |
Rwork | 0.221 |
R-free | 0.26050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zmc |
RMSD bond length | 0.006 |
RMSD bond angle | 1.023 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.760 | 3.040 |
High resolution limit [Å] | 2.880 | 2.880 |
Rmerge | 0.107 | 0.798 |
Number of reflections | 9729 | |
<I/σ(I)> | 11.7 | 1.5 |
Completeness [%] | 99.8 | 100 |
Redundancy | 3.1 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | PEG300, HEPES, pH6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |