7QUZ

Crystal structure of the SeMet octameric 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	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-03-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	201.125, 51.716, 168.659
Unit cell angles	90.00, 92.49, 90.00

Refinement procedure

Resolution	48.771 - 2.156
Rwork	0.240
R-free	0.29240
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.766
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	CRANK2 (2.0.25)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.772	48.720	2.190
High resolution limit [Å]	2.150	11.800	2.150
Rmerge	0.336	0.057	3.802
Rmeas	0.429	0.074	4.967
Rpim	0.265	0.046	3.161
Number of reflections	94220	649	4144
<I/σ(I)>	4.3
Completeness [%]	99.5
Redundancy	4.5	4	3.6
CC(1/2)	0.982	0.998	0.163

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	Protein concentration 30.0 mg/ml, 0.1 M Magnesium Chloride hexahydrate, 0.1 M HEPES pH 7.5, PEG 400 with 30% glycerol added to crystallisation buffer for cryocooling.