7X5R
Crystal structure of AtHPPD-Lancotrione 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 | 2020-05-07 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.987 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 76.555, 83.558, 61.658 |
Unit cell angles | 90.00, 100.89, 90.00 |
Refinement procedure
Resolution | 21.663 - 1.644 |
R-factor | 0.1759 |
Rwork | 0.174 |
R-free | 0.20650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7cqs |
RMSD bond length | 0.006 |
RMSD bond angle | 1.073 |
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] | 50.000 | 1.680 |
High resolution limit [Å] | 1.644 | 1.650 |
Rmerge | 0.068 | 0.441 |
Number of reflections | 46072 | 2346 |
<I/σ(I)> | 17.9 | |
Completeness [%] | 99.7 | |
Redundancy | 3.9 | |
CC(1/2) | 0.993 | 0.877 |
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 |