6GLL
Crystal structure of hMTH1 N33A in complex with LW14 in the presence of acetate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-25 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.907, 47.694, 124.442 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.535 - 1.395 |
R-factor | 0.1842 |
Rwork | 0.184 |
R-free | 0.19910 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.111 |
RMSD bond angle | 2.054 |
Data reduction software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.480 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmeas | 0.033 | 0.080 |
Number of reflections | 100436 | 16359 |
<I/σ(I)> | 22.02 | 9.96 |
Completeness [%] | 95.5 | 96.2 |
Redundancy | 1.92 | 1.8 |
CC(1/2) | 0.998 | 0.991 |
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 |