7X6N
Crystal structure of AtHPPD-Y191710 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 | 2020-09-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9785 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 77.341, 84.107, 62.875 |
Unit cell angles | 90.00, 100.70, 90.00 |
Refinement procedure
Resolution | 44.838 - 1.691 |
R-factor | 0.1907 |
Rwork | 0.190 |
R-free | 0.20910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7cqs |
RMSD bond length | 0.006 |
RMSD bond angle | 0.833 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.790 |
High resolution limit [Å] | 1.690 | 1.690 |
Rmerge | 0.038 | |
Number of reflections | 43999 | 3270 |
<I/σ(I)> | 17 | |
Completeness [%] | 99.4 | |
Redundancy | 3.4 | |
CC(1/2) | 0.999 | 0.947 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 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 |