6PZ7

GH5-4 broad specificity endoglucanase from Clostridium acetobutylicum

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 21 21 21
Unit cell lengths	51.721, 51.965, 102.995
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.640 - 1.250
R-factor	0.1262
Rwork	0.126
R-free	0.14820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ndz
RMSD bond length	0.010
RMSD bond angle	1.125
Data reduction software	XDS (20190315)
Data scaling software	XSCALE (20190315)
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.650	1.295
High resolution limit [Å]	1.250	1.250
Rmerge	0.065	0.209
Rmeas	0.070	0.241
Rpim	0.025	0.117
Number of reflections	78485	5788
<I/σ(I)>	19.11	4.41
Completeness [%]	95.1
Redundancy	7.3
CC(1/2)	0.998	0.955

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	Protein was crystallized in SD2 plates set by a Mosquito crystallization robot. The hit came from PACT Premiere Screen A7, 200 mM NaCl, 100 mM sodium acetate pH 5.0, 25% PEG 6K. Crystals were cryopreserved in reservoir solution supplemented with 15% ethylene glycol.