7R1N

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

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-05-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	76.650, 101.140, 107.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.108 - 2.072
Rwork	0.210
R-free	0.27060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7quz
RMSD bond length	0.013
RMSD bond angle	1.971
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]	53.500	53.500	2.130
High resolution limit [Å]	2.070	9.000	2.070
Rmerge	0.116	0.030	0.762
Rmeas	0.152	0.039	0.997
Rpim	0.097	0.025	0.633
Number of reflections	50525	707	3701
<I/σ(I)>	6.9
Completeness [%]	98.7
Redundancy	3.5	3.6	2.9
CC(1/2)	0.989	0.999	0.527

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