5TK8

Structure of the HD-domain phosphohydrolase OxsA with Oxetanocin-A monophosphate 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	2015-06-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
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	41.289 - 1.640
R-factor	0.1806
Rwork	0.179
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tk9
RMSD bond length	0.011
RMSD bond angle	1.281
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]	41.290	1.700
High resolution limit [Å]	1.640	1.640
Rmerge	0.045	0.841
Number of reflections	25785
<I/σ(I)>	55.8	3.1
Completeness [%]	99.7	99.5
Redundancy	17.3	13.9
CC(1/2)		0.886

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, 30% w/v PEG 400 Protein solution contained: 50 mM HEPES (pH 8.0), 100 mM NaCl, and 5% v/v glycerol, and 5 mM OXT-P