3KM5

Crystal Structure Analysis of the K2 Cleaved Adhesin Domain of Lys-gingipain (Kgp)

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	2008-07-15
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95667
Spacegroup name	P 1 21 1
Unit cell lengths	29.911, 59.858, 85.672
Unit cell angles	90.00, 94.23, 90.00

Refinement procedure

Resolution	15.320 - 1.400
R-factor	0.177
Rwork	0.175
R-free	0.20800
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.492
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXCD
Refinement software	REFMAC (5.5.0063)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	17.000	17.000	1.420
High resolution limit [Å]	1.400	3.790	1.400
Rmerge	0.058	0.042	0.266
Number of reflections	56082
<I/σ(I)>	11.8
Completeness [%]	94.8	98.2	96
Redundancy	3.6	3.8	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	298	2.0M Ammonium sulfate, 0.2M Ammonium nitrate, 0.1M Na citrate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	5.6	298	2.0M Ammonium sulfate, 0.2M Ammonium nitrate, 0.1M Na citrate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K