6UI3

GH5-4 broad specificity endoglucanase from Clostridum cellulovorans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.978560
Spacegroup name	P 21 21 21
Unit cell lengths	44.144, 89.095, 91.083
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.090 - 1.300
R-factor	0.1267
Rwork	0.126
R-free	0.14220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ndy
RMSD bond length	0.007
RMSD bond angle	0.990
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.850	1.346
High resolution limit [Å]	1.300	1.300
Rmerge	0.041	0.209
Rmeas	0.044	0.233
Rpim	0.016	0.099
Number of reflections	85209	6846
<I/σ(I)>	29.24	7.53
Completeness [%]	95.7	78.27
Redundancy	7	5.3
CC(1/2)	0.999	0.956

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	26% PEG 3350 and 100 mM Bis-Tris pH 5.5 crystals were cryoprotected by supplementing crystallization reagent with 1.5% ethylene glycol