6WQP

GH5-4 broad specificity endoglucanase from Ruminococcus champanellensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-13
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.978560
Spacegroup name	P 1 21 1
Unit cell lengths	49.980, 85.850, 87.200
Unit cell angles	90.00, 96.54, 90.00

Refinement procedure

Resolution	45.370 - 1.600
R-factor	0.2038
Rwork	0.203
R-free	0.24220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4im4
RMSD bond length	0.005
RMSD bond angle	0.790
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.370	1.657
High resolution limit [Å]	1.600	1.600
Rmerge	0.107	0.717
Rmeas	0.124	0.821
Rpim	0.062	0.395
Number of reflections	94298	9451
<I/σ(I)>	8.31	1.54
Completeness [%]	97.6	98.49
Redundancy	4.1	4.2
CC(1/2)	0.993	0.681

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	Crystals were grown from protein solution mixed with an equal volume of reservoir solution, 0.5% Jeffamine, 100 mM HEES pH 7.0, and 1.1 pM Sodium Malonate H 7.0 (Hampton Index HT screen: C9) in a SD2 format microplate set with a TTP Labtech Mosquito robot. Crystals were cryoprotected with 1.0% Jeffamine, 100 mM HEES pH 7.0, 1.1 M Sodium Malonate pH 7.0, and 20% ethylene glycol