3LZQ

Crystal Structure Analysis of Manganese treated P19 protein from Campylobacter jejuni at 1.41 A at pH 9

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 300 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	54.357, 73.619, 75.049
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.210 - 1.410
R-factor	0.16889
Rwork	0.167
R-free	0.20822
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	P6222 incomplete SeMAD model at 2.8 A resolution.
RMSD bond length	0.014
RMSD bond angle	1.549
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.210	1.490
High resolution limit [Å]	1.410	1.410
Rmerge	0.028	0.383
Number of reflections	54201
<I/σ(I)>	22	3.1
Completeness [%]	93.1	76.8
Redundancy	4	3.8

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