4U5I

Complex structure of mutant CtCel5E (E314A) with xylobiose

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	2013-10-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	75.018, 75.018, 256.179
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.500
Rwork	0.205
R-free	0.25180
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	2.590
High resolution limit [Å]	2.500	2.500
Rmerge		0.513
Number of reflections	26220
<I/σ(I)>	23.1	3.3
Completeness [%]	98.8	100
Redundancy	4.9	5.2

Crystallization Conditions

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