5UZ0
Crystal structure of AICARFT bound to an antifolate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-02 |
| Detector | RAYONIX MX325HE |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 |
| Unit cell lengths | 61.797, 105.121, 105.646 |
| Unit cell angles | 113.48, 99.42, 95.52 |
Refinement procedure
| Resolution | 18.040 - 1.790 |
| R-factor | 0.2035 |
| Rwork | 0.202 |
| R-free | 0.22470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 30.000 |
| High resolution limit [Å] | 1.790 |
| Number of reflections | 213181 |
| <I/σ(I)> | 9.9 |
| Completeness [%] | 95.6 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 281 | 100mM Hepes pH 7.3, 5% MPD, 28% PEG 3350, 200mM Magnesium Chloride |
