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