5YWH

Crystal structure of Arabidopsis thaliana HPPD complexed with Y13508

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	2015-06-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 41 21 2
Unit cell lengths	95.745, 95.745, 196.595
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.493 - 2.720
R-factor	0.2434
Rwork	0.241
R-free	0.29650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tfz
RMSD bond length	0.007
RMSD bond angle	0.625
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	2.800
High resolution limit [Å]	2.720	2.720
Rmerge	0.128	0.509
Number of reflections	25324	2057
<I/σ(I)>	18.8	4.7
Completeness [%]	99.8	99.4
Redundancy	8.6	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.16	0.1M NaAc pH4.5, 33% PEG 400, 0.1M NaCl