6US4
MTH1 in complex with compound 32
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-08-25 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54178 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 36.235, 60.365, 66.286 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.795 - 1.950 |
R-factor | 0.1819376565 |
Rwork | 0.175 |
R-free | 0.24440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zr0 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.082 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.980 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.080 | 0.526 |
Number of reflections | 11103 | 531 |
<I/σ(I)> | 13 | |
Completeness [%] | 99.7 | |
Redundancy | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 30% PEG 6000, 0.1M sodium acetate pH 4.0, 0.2M lithium sulfate |