7X8E
Crystal structure of PfHPPD-Y13287 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 | C 1 2 1 |
Unit cell lengths | 160.699, 161.203, 121.984 |
Unit cell angles | 90.00, 90.02, 90.00 |
Refinement procedure
Resolution | 38.154 - 2.749 |
R-factor | 0.2 |
Rwork | 0.196 |
R-free | 0.27650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cjx |
RMSD bond length | 0.009 |
RMSD bond angle | 1.041 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.800 |
High resolution limit [Å] | 2.749 | 2.750 |
Rmerge | 0.108 | |
Number of reflections | 79289 | 3889 |
<I/σ(I)> | 10.8 | |
Completeness [%] | 98.7 | 97.5 |
Redundancy | 3.4 | |
CC(1/2) | 0.983 | 0.835 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M MES 6.5, 20% w/v PEG 6000 |