1D2O

CRYSTAL STRUCTURE OF A SINGLE B REPEAT UNIT (B1) OF COLLAGEN BINDING SURFACE PROTEIN (CNA) OF STAPHYLOCOCCUS AUREUS.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-05-12
Detector	RIGAKU RAXIS IV
Spacegroup name	I 2 2 2
Unit cell lengths	96.907, 101.538, 121.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.212
Rwork	0.212
R-free	0.25600
RMSD bond length	0.006
RMSD bond angle	27.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.130
High resolution limit [Å]	2.300	2.000
Rmerge	0.060	0.256
Number of reflections	24426
<I/σ(I)>	16
Completeness [%]	90.6	88
Redundancy	7.4	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	Ammonium sulfate, Succinic acid buffer, BOG , pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammp,ium sulfate	4 (M)
2	1	reservoir	succinic acid	50 (mM)
3	1	reservoir	octyl beta-D-glucopyranoside	10 (%(w/v))