3KPT

Crystal structure of BcpA, the major pilin subunit of Bacillus cereus

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-02
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97929, 0.97946, 0.96863
Spacegroup name	P 21 21 21
Unit cell lengths	61.552, 73.862, 201.366
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.607 - 2.102
R-factor	0.2327
Rwork	0.231
R-free	0.27670
Structure solution method	MAD
RMSD bond length	0.003
RMSD bond angle	0.699
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Number of reflections	48052
Completeness [%]	88.2	57.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	20% PEG 3350, 0.2M Calcium acetate, 0.05M Tris-HCl pH 7.5, 0.15M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 298K