5TK9

Structure of the HD-domain phosphohydrolase OxsA with Oxetanocin-A 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	2014-07-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
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	43.000 - 1.843
R-factor	0.1821
Rwork	0.180
R-free	0.22300
RMSD bond length	0.010
RMSD bond angle	0.840
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]	43.000	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.077	0.930
Number of reflections	18194
<I/σ(I)>	37.9	4.3
Completeness [%]	100.0	100
Redundancy	13.5	12.1
CC(1/2)		0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.1 M TRIS hydrochloride (pH 8.5), 0.2 M magnesium chloride hexahydrate, 15% w/v PEG monomethyl ether 2000 Protein solution:50 mM HEPES (pH 8.0), 100 mM NaCl, and 5% v/v glycerol, and 5 mM OXT