8J8X
Crystal structure of AtHPPD-YH20307 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL10U2 |
Synchrotron site | SSRF |
Beamline | BL10U2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-10-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9791 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 77.069, 84.091, 62.735 |
Unit cell angles | 90.00, 100.35, 90.00 |
Refinement procedure
Resolution | 28.724 - 1.598 |
R-factor | 0.1915 |
Rwork | 0.191 |
R-free | 0.20410 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.853 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.630 |
High resolution limit [Å] | 1.598 | 1.600 |
Rmerge | 0.086 | |
Number of reflections | 51901 | 2457 |
<I/σ(I)> | 8.98 | |
Completeness [%] | 99.4 | |
Redundancy | 3.5 | |
CC(1/2) | 0.995 | 0.673 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1M Tris/Bicine pH 8.5, 15% (v/v) MPD, 15% (w/v) PEG 1000, 15% (w/v) PEG 3350, 0.03M NaBr, 0.03M NaF, 0.03M NaI |