1D2P

CRYSTAL STRUCTURE OF TWO B REPEAT UNITS (B1B2) OF THE COLLAGEN BINDING 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	1997-10-07
Detector	RIGAKU RAXIS IV
Spacegroup name	P 21 21 21
Unit cell lengths	42.392, 79.418, 130.399
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.950 - 2.500
R-factor	0.185
Rwork	0.185
R-free	0.24500
RMSD bond length	0.007
RMSD bond angle	27.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.069	0.325
Number of reflections	20351
<I/σ(I)>	22.3
Completeness [%]	99.9	100
Redundancy	6	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	PEG6000, Calcium chloride, sodium cacodylate , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop		5 (mM)
2	1	reservoir	PEG6000	16 (%(w/v))
3	1	reservoir	sodium cacodylic acid	100 (mM)