7R3T

Crystal structure of the Dimeric C-terminal Big_2-CBM56 domains from Paenibacillus illinoisensis (Bacillus circulans IAM1165) beta-1,3-glucanase H

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	2012-05-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 2 21 21
Unit cell lengths	50.630, 76.380, 106.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.797 - 2.109
Rwork	0.221
R-free	0.29620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7quz
RMSD bond length	0.011
RMSD bond angle	1.938
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.630	50.630	2.170
High resolution limit [Å]	2.109	8.950	2.110
Rmerge	0.108	0.028	0.880
Rmeas	0.148	0.037	1.197
Rpim	0.100	0.024	0.806
Number of reflections	22371	363	1566
<I/σ(I)>	7.7
Completeness [%]	91.9
Redundancy	3.3	3.4	3
CC(1/2)	0.993	0.999	0.365

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	20/30/50 mg/ml Protein concentration in 0.2 Magnesium chloride hexahydrate, 0.1 M HEPES sodium salt pH 7.5. 30% v/v PEG400