7FQ5
DHFR:NADP+:FOL complex at 310 K (crystal 3)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-1 |
Synchrotron site | SSRL |
Beamline | BL12-1 |
Temperature [K] | 310 |
Detector technology | PIXEL |
Collection date | 2021-11-20 |
Detector | DECTRIS EIGER2 S 16M |
Wavelength(s) | 0.826533 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.191, 45.299, 99.252 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.720 - 1.350 |
R-factor | 0.1515 |
Rwork | 0.150 |
R-free | 0.18960 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 7lvc |
RMSD bond length | 0.009 |
RMSD bond angle | 1.007 |
Data reduction software | DIALS (3.5.2) |
Data scaling software | DIALS (3.5.2) |
Phasing software | PHENIX (1.20.1_4487) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.250 | 1.370 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.560 | 5.587 |
Rpim | 0.108 | 1.048 |
Number of reflections | 65420 | 2973 |
<I/σ(I)> | 21.3 | 0.5 |
Completeness [%] | 99.5 | |
Redundancy | 27.3 | 28.9 |
CC(1/2) | 0.999 | 0.328 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2 |