6GLS
Crystal structure of hMTH1 N33G in complex with TH scaffold 1 in the absence 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 | 2017-10-27 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.490, 47.575, 123.556 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.397 - 1.501 |
| R-factor | 0.1755 |
| Rwork | 0.174 |
| R-free | 0.19870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.796 |
| 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 | 1.590 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmeas | 0.034 | 0.111 |
| Number of reflections | 79341 | 13064 |
| <I/σ(I)> | 18.13 | 6.65 |
| Completeness [%] | 95.7 | 97.4 |
| Redundancy | 1.94 | 1.92 |
| CC(1/2) | 0.999 | 0.984 |
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: 0.27 M ammonium sulfate, 17% glycerol, 27% PEG4000, 50 mM compound |
