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 |
