4XVH

Crystal structure of a Corynascus thermopiles (Myceliophthora fergusii) carbohydrate esterase family 2 (CE2) enzyme plus carbohydrate binding domain (CBD)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-22
Detector	RIGAKU SATURN A200
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	114.730, 134.310, 50.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.122 - 1.945
R-factor	0.1441
Rwork	0.142
R-free	0.18350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wao
RMSD bond length	0.012
RMSD bond angle	1.424
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	BALBES
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.270	2.060
High resolution limit [Å]	1.945	1.945
Rmerge	0.063	0.512
Number of reflections	28822
<I/σ(I)>	24.1	4.4
Completeness [%]	99.9	100
Redundancy	7.1	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.1 M Bis-tris pH 6.5, 0.2 M sodium acetate, 30% (w/v) PEG 8K. cryoprotectant: paratone-N oil