7XNT
Crystal structure of PfHPPD-Y13161 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-09-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.06 |
| Spacegroup name | P 1 |
| Unit cell lengths | 69.943, 73.041, 87.963 |
| Unit cell angles | 66.13, 79.56, 69.10 |
Refinement procedure
| Resolution | 34.897 - 1.822 |
| R-factor | 0.2394 |
| Rwork | 0.238 |
| R-free | 0.27100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7x8e |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.055 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.870 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.116 | 1.356 |
| Number of reflections | 130085 | 9505 |
| <I/σ(I)> | 11.4 | |
| Completeness [%] | 97.9 | |
| Redundancy | 3.47 | |
| CC(1/2) | 0.980 | 0.277 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 0.1M MES pH 6.5, 20% w/v PEG 6000 |
