6UFV

Crystal structure of the CBM3 from Bacillus subtilis at 1.06 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-03
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	46.153, 55.448, 66.652
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.305 - 1.060
R-factor	0.1652
Rwork	0.164
R-free	0.18150
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.666
Data reduction software	XDS
Data scaling software	XDS
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.305	1.098
High resolution limit [Å]	1.060	1.060
Number of reflections	77710	7565
<I/σ(I)>	16.44
Completeness [%]	99.4
Redundancy	6.7
CC(1/2)	0.999	0.510

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20 % (w/v) PEG 3350, 0.20 M potassium thiocynate