7V6X

Crystal structure of HPPD complexed with Y18556

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-09-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.01
Spacegroup name	C 1 2 1
Unit cell lengths	77.420, 83.945, 63.139
Unit cell angles	90.00, 100.87, 90.00

Refinement procedure

Resolution	29.986 - 1.800
R-factor	0.1857
Rwork	0.184
R-free	0.22090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m6d
RMSD bond length	0.006
RMSD bond angle	0.807
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	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.057	0.254
Number of reflections	36020	1612
<I/σ(I)>	29.7	4.8
Completeness [%]	98.1
Redundancy	6.6
CC(1/2)	0.977	0.982

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1M Tris/Bicine pH 8.5, 15% (v/v) MPD, 15% (w/v) PEG 1000, 15% (w/v) PEG 3350, 0.03M NaBr, 0.03M NaF, 0.03M NaI