6SZ6

Chaetomium thermophilum beta-glucosidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-06
Detector	MAR CCD 165 mm
Wavelength(s)	0.8123
Spacegroup name	P 41 21 2
Unit cell lengths	121.860, 121.860, 264.912
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.831 - 2.988
R-factor	0.2033
Rwork	0.201
R-free	0.24870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4iif
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.110
High resolution limit [Å]	2.988	2.990
Rmeas	0.287
Rpim	0.122	0.846
Number of reflections	41052	4513
<I/σ(I)>	7.8	1.4
Completeness [%]	99.3	98.6
Redundancy	5.4	5.1
CC(1/2)	0.978	0.492

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	289	35-45 % v/v MPD, HEPES 0.1 M, pH 7.6