8D24
Crystal structure of Plasmodium falciparum GRP78-NBD in complex with VER155008
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-03-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 83.997, 83.997, 292.603 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.810 - 1.750 |
| R-factor | 0.20146 |
| Rwork | 0.201 |
| R-free | 0.21699 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5umb |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.860 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmeas | 0.060 | 0.530 |
| Number of reflections | 62702 | 9890 |
| <I/σ(I)> | 32.2 | |
| Completeness [%] | 100.0 | |
| Redundancy | 19 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | 0.7 M (NH4)2SO4, 1.2 M Li2SO4, 0.1 M NaCitrate, pH 5.6 |
