8JBW
Crystal structure of ZtHPPD-(+)-Usnic acid complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-09-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9791 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 110.348, 110.348, 80.849 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.350 - 2.650 |
R-factor | 0.2552 |
Rwork | 0.253 |
R-free | 0.30250 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.096 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.700 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.117 | 1.059 |
Number of reflections | 14995 | 735 |
<I/σ(I)> | 26.4 | 2.5 |
Completeness [%] | 99.9 | |
Redundancy | 25 | |
CC(1/2) | 1.000 | 0.991 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.15M (NH4)2SO4, 0.1M MES pH6.0, 20% PEG 4000 |