8IM3
Crystal structure of human HPPD complexed with compound a10
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 | 2019-10-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9875 |
Spacegroup name | P 1 |
Unit cell lengths | 81.030, 88.895, 94.279 |
Unit cell angles | 97.27, 110.71, 110.29 |
Refinement procedure
Resolution | 48.190 - 2.780 |
R-factor | 0.2182 |
Rwork | 0.217 |
R-free | 0.24740 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.578 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.830 |
High resolution limit [Å] | 2.780 | 2.780 |
Rmerge | 0.095 | 0.259 |
Number of reflections | 53437 | 2140 |
<I/σ(I)> | 5.3 | 1.9 |
Completeness [%] | 88.6 | |
Redundancy | 1.4 | |
CC(1/2) | 0.980 | 0.851 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.03M CaCl2, 0.03M MgCl2, 0.05M Tris, 0.05M Bicine, pH8.5, 25% MPD, 25% PEG 1000, 25% PEG 3350 |