6GLR
Crystal structure of hMTH1 N33G in complex with TH scaffold 1 in the presence of acetate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-21 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.607, 47.598, 123.853 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.798 - 1.601 |
R-factor | 0.1702 |
Rwork | 0.169 |
R-free | 0.19880 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.806 |
Data reduction software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.700 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmeas | 0.041 | 0.121 |
Number of reflections | 65337 | 10453 |
<I/σ(I)> | 18.38 | 8.14 |
Completeness [%] | 95.0 | 93.9 |
Redundancy | 1.99 | 1.94 |
CC(1/2) | 0.999 | 0.980 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | crystallized in: 23-27% PEG3350, 0.2 M LiSO4, 0.1 M sodium acetate pH 4.5 soaked in: 27% PEG3350, 0.2 M LiSO4, 0.1 M sodium acetate pH 4.5, 20% DMSO, 10 mM compound |