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 |
