6JVL
Crystal structure of human MTH1 in complex with compound MI1014
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-10-02 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.244, 67.227, 79.583 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.761 - 1.900 |
| R-factor | 0.1975 |
| Rwork | 0.193 |
| R-free | 0.24730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
| Rmerge | 0.057 | 0.029 | 0.317 |
| Rmeas | 0.066 | 0.034 | 0.368 |
| Rpim | 0.033 | 0.017 | 0.183 |
| Number of reflections | 25739 | 2707 | 2528 |
| <I/σ(I)> | 14.1 | ||
| Completeness [%] | 99.6 | 97.8 | 99.5 |
| Redundancy | 4 | 3.7 | 3.9 |
| CC(1/2) | 0.998 | 0.906 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 3.75 | 298 | 30% PEG 6000, 200 mM Lithium sulphate, 100 mM Sodium acetate pH 3.75 |
