6DE4
Homo sapiens dihydrofolate reductase complexed with beta-NADPH and 3'-[(2R)-4-(2,4-diamino-6-ethylphenyl)but-3-yn-2-yl]-5'-methoxy-[1,1'-biphenyl]-4-carboxylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-24 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 104.611, 104.660, 144.333 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.364 - 2.411 |
R-factor | 0.1837 |
Rwork | 0.181 |
R-free | 0.22050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kak |
RMSD bond length | 0.008 |
RMSD bond angle | 1.057 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.364 | 2.450 |
High resolution limit [Å] | 2.411 | 2.410 |
Rpim | 0.082 | 0.779 |
Number of reflections | 30735 | |
<I/σ(I)> | 7.4 | |
Completeness [%] | 99.5 | |
Redundancy | 7.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 0.1M Tris Ph 7.6,0.2M LiSo4, 15mM CaCl2, 6% EtOH, 15% Ethylene glycol |