5XGK
Crystal structure of Arabidopsis thaliana 4-hydroxyphenylpyruvate dioxygenase (AtHPPD) complexed with its substrate 4-hydroxyphenylpyruvate acid (HPPA)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17B1 |
Synchrotron site | SSRF |
Beamline | BL17B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97961 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 95.606, 95.294, 98.000 |
Unit cell angles | 90.00, 92.10, 90.00 |
Refinement procedure
Resolution | 44.240 - 2.800 |
R-factor | 0.261 |
Rwork | 0.258 |
R-free | 0.31210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tfz |
RMSD bond length | 0.004 |
RMSD bond angle | 0.965 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.850 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.177 | 0.500 |
Rpim | 0.117 | 0.312 |
Number of reflections | 42651 | 2170 |
<I/σ(I)> | 8.19 | |
Completeness [%] | 98.1 | |
Redundancy | 3.3 | |
CC(1/2) | 0.828 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293.15 | 0.1M NaAc, 0.1M NaCl, 36% PEG 400 |