5AOT

Very high resolution structure of a novel carbohydrate binding module from Ruminococcus flavefaciens FD-1 endoglucanase Cel5A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-15
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	43.272, 45.020, 49.453
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.290 - 1.020
R-factor	0.16472
Rwork	0.164
R-free	0.17028
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5aos
RMSD bond length	0.012
RMSD bond angle	1.613
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.290	1.050
High resolution limit [Å]	1.020	1.020
Rmerge	0.050	0.940
Number of reflections	42277
<I/σ(I)>	16.2	1.5
Completeness [%]	99.6	96.5
Redundancy	6.2	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		20 MG/ML OF PROTEIN IN 0.2 M SODIUM ACETATE, 0.1 M CACODYLIC ACID PH 6.5, 30%(W/V) POLYETHYLENE GLYCOL 8000. 30%(V/V) GLYCEROL ADDED TO THE CRYSTALLIZATION BUFFER AS CRYOPROTECTANT.