4UZN

The native structure of the family 46 carbohydrate-binding module (CBM46) of endo-beta-1,4-glucanase B (Cel5B) from Bacillus halodurans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-09-23
Detector	DECTRIS PILATUS 6M
Spacegroup name	I 41 2 2
Unit cell lengths	121.190, 121.190, 77.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	85.690 - 2.460
R-factor	0.21558
Rwork	0.214
R-free	0.23997
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4uz8
RMSD bond length	0.012
RMSD bond angle	1.407
Data reduction software	MOSFLM
Data scaling software	FAST_DP
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.370	2.560
High resolution limit [Å]	2.460	2.460
Rmerge	0.130	1.500
Number of reflections	10730
<I/σ(I)>	9.7	1.3
Completeness [%]	99.8	100
Redundancy	8.2	7.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		0.4-0.75 M POTASSIUM SODIUM TARTRATE TETRAHYDRATE PROTEIN WAS COCRYSTALLISED WITH 10 MM OF 1,4-BETA-D-CELLOHEXAOSEIN 50 MM HEPES HCL PH 7.5, 200 MM NACL, 5 MM CACL2. 30%, V/V GLYCEROL ADDED TO THE CRYSTALLIZATION BUFFER AS CRYOPROTECTANT.