5EAJ
Crystal structure of DHFR in 0% 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 | IMAGE PLATE |
Collection date | 2012-02-01 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.0 |
Spacegroup name | P 61 |
Unit cell lengths | 91.947, 91.947, 73.097 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.916 - 1.701 |
R-factor | 0.1992 |
Rwork | 0.198 |
R-free | 0.22480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rd7 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.858 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.6.2_432)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 1.760 |
High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
Rmerge | 0.061 | 0.037 | 0.525 |
Total number of observations | 320420 | ||
Number of reflections | 38279 | ||
<I/σ(I)> | 15.8 | ||
Completeness [%] | 99.1 | 99.2 | 94.6 |
Redundancy | 8.4 | 8.8 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.2 M CaCl2, 20-35 % (w/v) PEG 6000, 0.1M NaHEPES pH7.5 |