4U5K

Complex structure of mutant CtCel5E (E314A) with cellobiose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-01-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97622
Spacegroup name	P 43 21 2
Unit cell lengths	74.937, 74.937, 254.893
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.650
Rwork	0.183
R-free	0.25510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u3a
Refinement software	CNS (1.21)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.740
High resolution limit [Å]	2.650	2.650
Rmerge		0.488
Number of reflections	22003
<I/σ(I)>	11.6	3
Completeness [%]	99.8	100
Redundancy	5.1	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	298	0.2M ammonium acetate, 0.1M sodium acetate, 21% (W/V) PEG 4000