5YWK

Crystal structure of Arabidopsis thaliana HPPD complexed with Benquitrione-Methyl

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	2016-09-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97881
Spacegroup name	P 41 21 2
Unit cell lengths	95.753, 95.753, 194.584
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.519 - 2.804
R-factor	0.2493
Rwork	0.247
R-free	0.29460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tfz
RMSD bond length	0.009
RMSD bond angle	0.788
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	2.904
High resolution limit [Å]	2.804	2.804
Rmerge	0.140	0.242
Number of reflections	22388	1120
<I/σ(I)>	17.89
Completeness [%]	97.0
Redundancy	12.2	13

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	291.16	33% PEG 400, 0.1M sodium chloride, 0.1M Sodium acetate