5W3Q
L28F E.coli DHFR in complex with NADPH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-09-12 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97648 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.337, 45.166, 97.770 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.174 - 1.401 |
R-factor | 0.1403 |
Rwork | 0.139 |
R-free | 0.16770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rx1 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.987 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 33.174 |
High resolution limit [Å] | 1.400 |
Rpim | 0.027 |
Number of reflections | 26915 |
<I/σ(I)> | 24.3 |
Completeness [%] | 87.4 |
Redundancy | 6.1 |
CC(1/2) | 0.974 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 100 mM imidazole pH 8.0, 25% w/v PEG6000, 450 mM CaCl2 |