5UY8
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 | 2014-02-03 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 |
| Unit cell lengths | 61.575, 104.226, 105.473 |
| Unit cell angles | 113.16, 99.39, 95.50 |
Refinement procedure
| Resolution | 19.980 - 2.390 |
| R-factor | 0.2072 |
| Rwork | 0.205 |
| R-free | 0.24500 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.140 |
| 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] | 19.980 |
| High resolution limit [Å] | 2.390 |
| Number of reflections | 89074 |
| <I/σ(I)> | 6.6 |
| Completeness [%] | 96.2 |
| Redundancy | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 281 | 100mM Hepes pH 7, 22% PEG 3350, 200mM Magnesium Chloride |
