6XOF

Crystal structure of SCLam, a non-specific endo-beta-1,3(4)-glucanase from family GH16

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER TURBO X-RAY SOURCE
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-13
Detector	APEX II CCD
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	42.855, 46.673, 115.055
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.290 - 1.500
R-factor	0.1463
Rwork	0.145
R-free	0.16840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3iln
RMSD bond length	0.016
RMSD bond angle	1.975
Data reduction software	APEX 2
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0266)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.670	46.670	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.044	0.013	0.398
Rmeas	0.062	0.019	0.563
Rpim	0.044	0.013	0.398
Total number of observations	70423	441	3284
Number of reflections	37616	289	1788
<I/σ(I)>	10.6	24.1	1.4
Completeness [%]	99.4	99.3	97.2
Redundancy	1.9	1.5	1.8
CC(1/2)	0.998	0.999	0.733

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	2.1 M DL-Malic acid