4XWM

Complex structure of catalytic domain of Clostridium Cellulovorans Exgs and Cellobiose

Replaces:  4KKF

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	109.140, 109.140, 182.145
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.505 - 1.703
R-factor	0.146
Rwork	0.146
R-free	0.16310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f9o
RMSD bond length	0.008
RMSD bond angle	1.186
Data scaling 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	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.051	0.265
Total number of observations	791443
Number of reflections	119873
<I/σ(I)>	18.4
Completeness [%]	99.5	99.9
Redundancy	6.6	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	PEG3350, SODIUM TARTRATE
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	PEG3350, SODIUM TARTRATE