21WF

Structure of Rice HPPD in complex with MST

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97919
Spacegroup name	P 42 21 2
Unit cell lengths	157.830, 157.830, 83.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.620 - 2.320
R-factor	0.2283
Rwork	0.226
R-free	0.27230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.935
Data reduction software	xia2
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.620	2.403
High resolution limit [Å]	2.320	2.320
Rmerge	0.009	0.288
Rmeas	0.013	0.407
Rpim	0.009	0.288
Number of reflections	45794	8836
<I/σ(I)>	36.16	2.35
Completeness [%]	99.7
Redundancy	6
CC(1/2)	1.000	0.775

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.2M Mgcl2.6H2O, 0.1M BIS-TRIS PH 5.5, 25% PEG3350