5YWG
Crystal structure of Arabidopsis thaliana HPPD complexed with Mesotrione
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 | 2015-03-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97961 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 95.719, 95.719, 195.170 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.760 - 2.603 |
R-factor | 0.2644 |
Rwork | 0.262 |
R-free | 0.30710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5xgk |
RMSD bond length | 0.009 |
RMSD bond angle | 1.141 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.640 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.249 | 1.297 |
Rpim | 0.057 | 0.148 |
Number of reflections | 28278 | 1383 |
<I/σ(I)> | 12.94 | |
Completeness [%] | 99.4 | 99.8 |
Redundancy | 20 | |
CC(1/2) | 0.990 | 0.858 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1M NaAc pH 4.5, 0.1M NaCl, 33% PEG 400 |