4U3A

Crystal structure of CtCel5E

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-10-15
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.976
Spacegroup name	P 43 21 2
Unit cell lengths	74.930, 74.930, 254.195
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.430 - 2.420
R-factor	0.20365
Rwork	0.201
R-free	0.24822
RMSD bond length	0.006
RMSD bond angle	1.017
Refinement software	REFMAC (5.8.0071)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge		0.470
Number of reflections	28613
<I/σ(I)>	23.6	4.3
Completeness [%]	97.0	70
Redundancy	10.3	9.5

Crystallization Conditions

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