5TK7

Structure of the HD-domain phosphohydrolase OxsA with Oxetanocin-A triphosphate bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	H 3 2
Unit cell lengths	143.031, 143.031, 53.786
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.336 - 1.904
R-factor	0.1941
Rwork	0.193
R-free	0.22350
RMSD bond length	0.011
RMSD bond angle	0.934
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.336	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.054	0.803
Number of reflections	16408
<I/σ(I)>	26.2	1.6
Completeness [%]	99.5	98.4
Redundancy	4.8	3.6
CC(1/2)		0.595

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.1 M TRIS hydrochloride (pH 8.5), 0.2 M magnesium chloride hexahydrate, 30% w/v PEG 400 Soaked in a solution that contained 1 mM OXT-PPP in 30% PEG400 for 2.5 hours