8I2P
Crystal structure of AtHPPD-Y19060 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 | 2019-04-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9792 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 77.392, 84.374, 63.608 |
Unit cell angles | 90.00, 100.77, 90.00 |
Refinement procedure
Resolution | 39.277 - 1.797 |
R-factor | 0.2063 |
Rwork | 0.205 |
R-free | 0.23240 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.930 |
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] | 50.000 | 1.840 |
High resolution limit [Å] | 1.797 | 1.800 |
Rmerge | 0.057 | |
Number of reflections | 37239 | 2718 |
<I/σ(I)> | 10.33 | |
Completeness [%] | 98.1 | |
Redundancy | 3.4 | |
CC(1/2) | 0.997 | 0.948 |
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 |