6AA5
Crystal structure of MTH1 in complex with 3-isomangostin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-05-14 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 67.086, 67.086, 141.016 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.496 - 1.901 |
| R-factor | 0.1932 |
| Rwork | 0.191 |
| R-free | 0.23840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6aa3 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.927 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.10.1-2155_1069: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.400 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rpim | 0.023 | 0.303 |
| Number of reflections | 13042 | 1276 |
| <I/σ(I)> | 23.5 | |
| Completeness [%] | 99.5 | |
| Redundancy | 9.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25% PEG3350, 1.8 mM ZnSO4, 6% sucrose, 0.1 M Bis-Tris pH 6.1 |
