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 |