5ANW
MTH1 in complex with compound 24
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-07-04 |
Detector | DECTRIS PILATUS |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 61.130, 66.070, 35.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.860 - 1.370 |
R-factor | 0.2003 |
Rwork | 0.199 |
R-free | 0.22530 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.970 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | AMoRE |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.100 | 1.410 |
High resolution limit [Å] | 1.370 | 1.370 |
Rmerge | 0.050 | 0.400 |
Number of reflections | 25048 | |
<I/σ(I)> | 24.6 | 4.8 |
Completeness [%] | 80.0 | 17 |
Redundancy | 5 | 1.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.5 | pH 4.5 |