8G50
E. coli DHFR complex with NADP+ and folate: EF-X excited state model by Laue diffraction (electric field along b axis; 8-fold extrapolation of structure factor differences)
Experimental procedure
| Experimental method | LAUE |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-ID-B |
| Synchrotron site | APS |
| Beamline | 14-ID-B |
| Temperature [K] | 278 |
| Detector technology | CCD |
| Collection date | 2021-04-02 |
| Detector | RAYONIX MX340-HS |
| Wavelength(s) | 1.02 - 1.18 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.286, 45.530, 98.995 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.360 - 1.700 |
| R-factor | 0.3086 |
| Rwork | 0.306 |
| R-free | 0.35010 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.781 |
| Data reduction software | Precognition (5.2.2) |
| Data scaling software | careless (0.2.0) |
| Phasing software | PHENIX (1.19.2_4158) |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.360 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 33671 | 3292 |
| <I/σ(I)> | 14.27 | 7 |
| Completeness [%] | 99.4 | 99.5 |
| Redundancy | 18.63 | 14.16 |
| CC(1/2) | 0.987 | 0.927 |
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 |
