8DAI
E. coli DHFR complex with NADP+ and 10-methylfolate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-1 |
Synchrotron site | SSRL |
Beamline | BL12-1 |
Temperature [K] | 285 |
Detector technology | PIXEL |
Collection date | 2022-05-07 |
Detector | DECTRIS EIGER2 S 16M |
Wavelength(s) | 0.953692 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.251, 45.357, 98.845 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.420 - 1.140 |
R-factor | 0.1284 |
Rwork | 0.127 |
R-free | 0.16000 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 7lvc |
RMSD bond length | 0.013 |
RMSD bond angle | 1.357 |
Data reduction software | DIALS (3.5.2) |
Data scaling software | DIALS (3.5.2) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.420 | 1.180 |
High resolution limit [Å] | 1.140 | 1.140 |
Rmerge | 0.148 | 3.344 |
Rpim | 0.028 | 0.878 |
Number of reflections | 105471 | 8518 |
<I/σ(I)> | 8.62 | 0.35 |
Completeness [%] | 96.3 | 70.65 |
Redundancy | 25.9 | 14.9 |
CC(1/2) | 0.999 | 0.269 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 20 mM imadazole (pH 5.4-5.8), 15-20% PEG 400, 125 mM MnCl2 |