5ANU
MTH1 in complex with compound 15
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 | 2014-11-24 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 60.210, 66.830, 36.090 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.730 - 1.800 |
R-factor | 0.20933 |
Rwork | 0.207 |
R-free | 0.25745 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | NONE |
RMSD bond length | 0.012 |
RMSD bond angle | 1.554 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | AMoRE |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.700 | 1.910 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.080 | 0.410 |
Number of reflections | 13086 | |
<I/σ(I)> | 10.3 | 2.2 |
Completeness [%] | 93.6 | 92.4 |
Redundancy | 4.1 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.5 | PH 4.5 |