4XWN

Complex structure of catalytic domain of Clostridium Cellulovorans Exgs and Cellotetraose

Replaces:  4KKK

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-11
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	108.856, 108.856, 182.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.475 - 2.884
R-factor	0.1659
Rwork	0.164
R-free	0.19290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f9o
RMSD bond length	0.006
RMSD bond angle	1.107
Data reduction software	SCALEPACK
Phasing software	PHASER (2.5.3)
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.980
High resolution limit [Å]	2.880	2.880
Rmerge	0.081	0.252
Total number of observations	172053
Number of reflections	25404
<I/σ(I)>	14.6
Completeness [%]	99.7	100
Redundancy	6.8	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	PEG6000, HEPES
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	PEG6000, HEPES