4YHG

NATIVE BACTEROIDETES-AFFILIATED GH5 CELLULASE LINKED WITH A POLYSACCHARIDE UTILIZATION LOCUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-11-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	84.326, 99.553, 102.462
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.400 - 2.400
R-factor	0.1869
Rwork	0.185
R-free	0.22770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yhe
RMSD bond length	0.010
RMSD bond angle	1.316
Data reduction software	XDS
Data scaling software	SCALA (3.3.21)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	71.401	49.777	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge		0.056	0.496
Rmeas	0.116
Rpim	0.048	0.028	0.234
Total number of observations	180101	5722	25018
Number of reflections	34325
<I/σ(I)>	10.2	21.1	3.1
Completeness [%]	99.8	99.3	99.8
Redundancy	5.2	4.8	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.2 M potassium nitrate, 20 % w/v PEG 3350, 5mM Cellotetraose