1P9H

CRYSTAL STRUCTURE OF THE COLLAGEN-BINDING DOMAIN OF YERSINIA ADHESIN YadA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	CCD
Collection date	2000-06-19
Detector	MARRESEARCH
Wavelength(s)	0.91020
Spacegroup name	H 3 2
Unit cell lengths	67.050, 67.050, 221.953
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 * - 1.550
Rwork	0.196
R-free	0.20400 *
Structure solution method	MAD
RMSD bond length	0.004
RMSD bond angle	1.384 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.610
High resolution limit [Å]	1.550	1.550
Rmerge	0.044 *	0.429
Total number of observations	355936 *
Number of reflections	32335 *	2683 *
<I/σ(I)>	24	4.5
Completeness [%]	99.8 *	99.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.7 *	298	PEG 8000, sodium acetate, sodium-cacotylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	11 (%)
2	1	reservoir	sodium acetate	0.2 (M)
3	1	reservoir	Tris-HCl	0.1 (M)	pH6.7