8UW4

Crystal structure of hydroxyisourate hydrolase from Herbaspirillum seropedicae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-25
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.45871
Spacegroup name	P 1 21 1
Unit cell lengths	49.286, 102.662, 119.512
Unit cell angles	90.00, 94.38, 90.00

Refinement procedure

Resolution	46.710 - 2.150
R-factor	0.2287
Rwork	0.227
R-free	0.26020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.559
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.140	2.200
High resolution limit [Å]	2.150	2.150
Rmerge	0.191	0.713
Rmeas	0.223	0.843
Rpim	0.114	0.443
Total number of observations	243084	15559
Number of reflections	64495	4472
<I/σ(I)>	4.5	1.7
Completeness [%]	99.9
Redundancy	3.8	3.5
CC(1/2)	0.970	0.570

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	25% w/v Polyethyleneglycol 3350, 100mM BIS-TRIS pH5.5 and 200mM Magnesium chloride