5E8Q
Crystal structure of DHFR in 20% Isopropanol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-01 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.00 |
Spacegroup name | P 61 |
Unit cell lengths | 91.946, 91.946, 73.088 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 23.297 - 1.800 |
R-factor | 0.2002 |
Rwork | 0.197 |
R-free | 0.25340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3drc |
RMSD bond length | 0.012 |
RMSD bond angle | 1.375 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 1.860 |
High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
Rmerge | 0.091 | 0.051 | 0.519 |
Total number of observations | 261190 | ||
Number of reflections | 32525 | ||
<I/σ(I)> | 13.2 | 5.4 | |
Completeness [%] | 99.5 | 99.1 | 99.5 |
Redundancy | 8 | 8.3 | 8.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.2M CaCl2, 20-35% PEG 6000, 0.1M NaHEPES |