3LZR

Crystal Structure Analysis of Manganese treated P19 protein from Campylobacter jejuni at 2.73 A at pH 9 and Manganese peak wavelength (1.893 A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-27
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.893
Spacegroup name	P 21 21 2
Unit cell lengths	54.499, 73.797, 75.217
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.260 - 2.730
R-factor	0.19699
Rwork	0.195
R-free	0.24532
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	P6222 incomplete SeMAD model at 2.8 Angs resolution.
RMSD bond length	0.005
RMSD bond angle	0.910
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.260	2.880
High resolution limit [Å]	2.730	2.730
Rmerge	0.015	0.019
Number of reflections	7756
<I/σ(I)>	61.9	47.3
Completeness [%]	92.6	78
Redundancy	3.8	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	298	50% POLYETHYLENE GLYCOL (PEG) 250, 0.1 M CHES (2-(N-CYCLOHEXYLAMINO) ETHANE SULFONIC ACID) BUFFER PH 9.0, CRYO FROZEN WITHOUT ANY ADDITION, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K