7KW6

Crystal structure of the BlCel48B from Bacillus licheniformis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100.15
Detector technology	PIXEL
Collection date	2016-07-15
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.458590
Spacegroup name	P 1 21 1
Unit cell lengths	59.537, 98.980, 59.910
Unit cell angles	90.00, 103.14, 90.00

Refinement procedure

Resolution	29.700 - 1.680
R-factor	0.1488
Rwork	0.148
R-free	0.18070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bv9
RMSD bond length	0.016
RMSD bond angle	1.632
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	5.020
High resolution limit [Å]	1.670	1.680
Rmeas	0.076	0.078
Number of reflections	146189	75730
<I/σ(I)>	13.61	2.4
Completeness [%]	96.1	99
Redundancy	3
CC(1/2)	0.990	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	291.15	0.5M LiCl, 24-28% PEG 6000, 0.1 M Tris, 0.005 M CaCl2