8R3U
Crystal structure of DHPS in complex with an inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-05-22 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.530, 107.852, 96.860 |
| Unit cell angles | 90.00, 93.13, 90.00 |
Refinement procedure
| Resolution | 72.004 - 1.630 |
| Rwork | 0.180 |
| R-free | 0.21050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.518 |
| Data reduction software | xia2 |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.010 | 1.660 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Number of reflections | 202950 | 71272 |
| <I/σ(I)> | 11.8 | 0.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7 | |
| CC(1/2) | 0.997 | 0.378 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 20 % w/v PEG 3350, 0.2 M Ammonium chloride |
