8COY
Structure of the catalytic domain of P. vivax Sub1 (triclinic crystal form) in complex with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | P 1 |
Unit cell lengths | 53.260, 55.100, 69.010 |
Unit cell angles | 69.22, 78.31, 74.76 |
Refinement procedure
Resolution | 29.730 - 1.507 |
R-factor | 0.1771 |
Rwork | 0.176 |
R-free | 0.19220 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.060 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.4 (21-NOV-2022)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.000 | 1.530 |
High resolution limit [Å] | 1.507 | 1.510 |
Rpim | 0.031 | 0.337 |
Number of reflections | 104444 | 5196 |
<I/σ(I)> | 12 | 2.1 |
Completeness [%] | 94.1 | 92.8 |
Redundancy | 1.9 | 1.9 |
CC(1/2) | 1.000 | 0.780 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.5 M LiSO4, 15% W/V PEG8000 |