3M1H

Crystal Structure Analysis of the K3 Cleaved Adhesin Domain of Lys-gingipain (Kgp) from Porphyromonas gingivalis w83

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-30
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95663
Spacegroup name	P 1 21 1
Unit cell lengths	43.251, 123.131, 62.614
Unit cell angles	90.00, 91.25, 90.00

Refinement procedure

Resolution	23.240 - 1.560
R-factor	0.159
Rwork	0.158
R-free	0.19100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3km5
RMSD bond length	0.013
RMSD bond angle	1.551
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.590
High resolution limit [Å]	1.560	4.230	1.560
Rmerge	0.032	0.024	0.161
Number of reflections	89782
<I/σ(I)>	19.1
Completeness [%]	96.7	98.7	73.2
Redundancy	2.4	2.3	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.2M Calcium acetate, 30% PEG 8000, 0.1M Na cacodylate, pH 6.5, vapor diffusion, sitting drop, temperature 298K