3ZR0
Crystal structure of human MTH1 in complex with 8-oxo-dGMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-03 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.500, 67.240, 79.990 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.470 - 1.800 |
| R-factor | 0.19876 |
| Rwork | 0.196 |
| R-free | 0.24616 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fk9 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.045 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.080 | 0.430 |
| Number of reflections | 30401 | |
| <I/σ(I)> | 12.2 | 3.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.3 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 26 % PEG6000, 0.1 M SODIUM ACETATE TRIHYDRATE PH 4.0, 0.2 M LI2SO4 |
