4YHE

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)	0.9724
Spacegroup name	P 21 21 21
Unit cell lengths	85.510, 100.680, 101.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.510 - 1.850
R-factor	0.1793
Rwork	0.178
R-free	0.21180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.381
Data scaling software	Aimless (0.1.26)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.510	65.510	1.890
High resolution limit [Å]	1.850	9.250	1.850
Rmerge	0.081	0.060	0.300
Rpim	0.047	0.037	0.201
Total number of observations	273972	2347	11490
Number of reflections	74499
<I/σ(I)>	8.9	16.5	2.9
Completeness [%]	98.6	97.3	90.8
Redundancy	3.7	3.5	2.9
CC(1/2)	0.993	0.990	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	0.1M Sodium Cacodylate,40% v/v 2-Methyl-2,4-pentanediol, 5% w/v PEG8000