7D4X
X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH7.0
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 291 |
Detector technology | IMAGE PLATE |
Collection date | 2014-08-10 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.293, 45.625, 98.974 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.413 - 1.599 |
R-factor | 0.157 |
Rwork | 0.155 |
R-free | 0.18890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rx2 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.ensemble_refinement:1.13rc2_2986)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.630 |
High resolution limit [Å] | 1.599 | 1.599 |
Rmerge | 0.097 | |
Number of reflections | 20795 | 1017 |
<I/σ(I)> | 13.7 | 2.97 |
Completeness [%] | 97.7 | |
Redundancy | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 40mg/mL DHFR-folate-NADP+ complex, 12% (v/v) PEG 400, 100mM MnCl2, 20mM imidazole, pH7.0 |