8D22
Crystal structure of Plasmodium falciparum GRP78-NBD in complex with Piclidenoson
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-02-07 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1.5212 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 84.277, 84.277, 292.195 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.750 - 2.000 |
R-factor | 0.1988 |
Rwork | 0.197 |
R-free | 0.23110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5umb |
RMSD bond length | 0.014 |
RMSD bond angle | 1.835 |
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 | 2.120 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmeas | 0.520 | |
Number of reflections | 42527 | 6624 |
<I/σ(I)> | 30.55 | |
Completeness [%] | 99.3 | 98.1 |
Redundancy | 18.7 |
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 |