7P6I

Crystal structure of the endoglucanase RBcel1 Y201F

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	2014-06-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9801
Spacegroup name	P 21 21 21
Unit cell lengths	52.040, 63.060, 98.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.898 - 1.470
R-factor	0.1794
Rwork	0.178
R-free	0.19340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ee9
RMSD bond length	0.003
RMSD bond angle	0.650
Data reduction software	XDS (20190315)
Data scaling software	XSCALE (20190315)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.11_2563)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.898	38.898	1.510
High resolution limit [Å]	1.470	6.570	1.470
Rmerge	0.109	0.060	1.521
Rmeas	0.113	0.063	1.581
Number of reflections	55784	683	3724
<I/σ(I)>	16.27	34.37	1.72
Completeness [%]	99.2	94.9	90.7
Redundancy	13.935	11.064	13.278
CC(1/2)	0.999	0.997	0.586

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	Reservoir: 0.1M Tris, 17.5% PEG600, pH7. Protein:14.1 mg/ml in 20 mM sodium phosphate buffer pH6.5. Drop: 2 ul reservoir + 2 ul protein. Cryoprotectant: 50% PEG600 added to the drop for 40 s.