7E0X

Crystal structure of Arabidopsis thaliana HPPD complexed with 4-hydroxyphenylacetic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2018-07-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9775
Spacegroup name	C 1 2 1
Unit cell lengths	77.026, 83.889, 62.753
Unit cell angles	90.00, 99.95, 90.00

Refinement procedure

Resolution	28.683 - 1.887
R-factor	0.2066
Rwork	0.205
R-free	0.24310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yy6
RMSD bond length	0.007
RMSD bond angle	0.824
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.930
High resolution limit [Å]	1.887	1.900
Rmerge	0.069	0.447
Number of reflections	30147	1498
<I/σ(I)>	15.5
Completeness [%]	96.6	97.1
Redundancy	4
CC(1/2)	0.995	0.869

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M NaAc pH4.5, 33% PEG 400, 0.1M NaCl