7P6H

Crystal structure of the endoglucanase RBcel1 E135Q in complex with cellotriose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9801
Spacegroup name	P 21 21 21
Unit cell lengths	45.740, 99.790, 149.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.460 - 1.730
R-factor	0.168
Rwork	0.167
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ee9
Data reduction software	XDS (20190315)
Data scaling software	XSCALE (20190315)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.460	41.460	1.770
High resolution limit [Å]	1.730	7.730	1.730
Rmerge	0.081	0.030	1.485
Rmeas	0.088	0.034	1.611
Total number of observations	512215
Number of reflections	71941	900	4942
<I/σ(I)>	14.59	35.19	1.41
Completeness [%]	99.3	96.8	93
Redundancy	7.12	6.123	6.421
CC(1/2)	0.999	0.998	0.663

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	Reservoir: 0.1M Tris, 17.5% PEG600, pH7.4. Protein: 14 mg/ml in 20 mM sodium phosphate buffer, pH6.5. Drop: 2 ul reservoir + 2 ul protein + 0.4 ul 2 mM cellotriose + 0.2 ul microseeds.