7X5W
Crystal structure of AtHPPD-Y18022 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 | 2021-07-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9885 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 76.966, 83.784, 62.205 |
Unit cell angles | 90.00, 100.29, 90.00 |
Refinement procedure
Resolution | 29.899 - 1.598 |
R-factor | 0.1756 |
Rwork | 0.174 |
R-free | 0.20100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7cqr |
RMSD bond length | 0.006 |
RMSD bond angle | 0.838 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.630 |
High resolution limit [Å] | 1.598 | 1.600 |
Rmerge | 0.048 | 0.238 |
Number of reflections | 51094 | 2551 |
<I/σ(I)> | 23.5 | |
Completeness [%] | 99.8 | |
Redundancy | 3.3 | |
CC(1/2) | 0.994 | 0.941 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 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 |