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