5TKA

Structure of the HD-domain phosphohydrolase OxsA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-06-25
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	28.953 - 2.048
R-factor	0.2087
Rwork	0.206
R-free	0.25390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2par
RMSD bond length	0.004
RMSD bond angle	0.428
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]	28.953	2.120
High resolution limit [Å]	2.048	2.048
Rmerge	0.055	0.610
Number of reflections	13290
<I/σ(I)>	40	1.9
Completeness [%]	99.7	97
Redundancy	8.9	4.7
CC(1/2)		0.724

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 4000