4NF7

Crystal structure of the GH5 family catalytic domain of Endo-1,4-beta-glucanase Cel5C from Butyrivibrio proteoclasticus.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-02
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 43 21 2
Unit cell lengths	68.890, 68.890, 175.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.446 - 2.111
R-factor	0.1921
Rwork	0.190
R-free	0.23280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.032
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.4.0)
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.133	37.446	2.230
High resolution limit [Å]	2.110	6.680	2.110
Rmerge		0.015	0.015
Rmeas		0.081	1.528
Rpim		0.016	0.301
Total number of observations		21217	83268
Number of reflections	24672
<I/σ(I)>	11.8	32	2.5
Completeness [%]	98.4	98.6	96
Redundancy	27	23.3	24.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	289	20% PEG3350, 0.2M Ammonium formate pH 6.6, 20% PEG550 mme., VAPOR DIFFUSION, HANGING DROP, temperature 289K