8COZ
Structure of the catalytic domain of P. vivax Sub1 (triclinic crystal form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 |
| Unit cell lengths | 53.504, 55.504, 69.036 |
| Unit cell angles | 69.18, 78.86, 75.87 |
Refinement procedure
| Resolution | 27.960 - 1.438 |
| R-factor | 0.1961 |
| Rwork | 0.195 |
| R-free | 0.21640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.080 |
| 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] | 42.700 | 1.440 |
| High resolution limit [Å] | 1.438 | 1.438 |
| Rpim | 0.047 | 0.794 |
| Number of reflections | 118611 | 5123 |
| <I/σ(I)> | 8.6 | 1 |
| Completeness [%] | 91.2 | 79.1 |
| Redundancy | 3.1 | 2.8 |
| CC(1/2) | 0.990 | 0.390 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.5 M LiSO4, 15% W/V PEG8000 |
