8D1S
Crystal structure of Plasmodium falciparum GRP78 in complex with Toyocamycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-03 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 84.377, 84.377, 292.492 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.800 - 2.250 |
| R-factor | 0.18292 |
| Rwork | 0.181 |
| R-free | 0.22574 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5umb |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.729 |
| 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 | 2.390 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmeas | 0.150 | 0.120 |
| Number of reflections | 30363 | 4774 |
| <I/σ(I)> | 26.3 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 18.9 |
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 |
