4C9W
Crystal structure of NUDT1 (MTH1) with R-crizotinib
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-04-29 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 36.200, 59.960, 66.870 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.640 - 1.650 |
R-factor | 0.152 |
Rwork | 0.149 |
R-free | 0.21812 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zr0 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.348 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.640 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.080 | 0.370 |
Number of reflections | 18113 | |
<I/σ(I)> | 8.2 | 2.6 |
Completeness [%] | 99.8 | 97.4 |
Redundancy | 4.2 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 0.2M AMMONIUM SULFATE, 30%(W/V) PEG 4000, pH 7.5 |