4XEB

The structure of P. funicolosum Cel7A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-15
Detector	Bruker Platinum 135
Wavelength(s)	1.54188
Spacegroup name	C 1 2 1
Unit cell lengths	70.972, 61.836, 85.849
Unit cell angles	90.00, 98.77, 90.00

Refinement procedure

Resolution	50.000 - 1.700
R-factor	0.13954
Rwork	0.138
R-free	0.20301
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pl3
RMSD bond length	0.018
RMSD bond angle	1.904
Data scaling software	PROTEUM PLUS
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.840	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.103	0.399
Number of reflections	40134
<I/σ(I)>	12.99	1.66
Completeness [%]	99.0	94.4
Redundancy	8.63	2.13

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	Sitting drop with 50 uL of well solution and drops containing 0.5 uL of well solution and 1.5 uL of protein solution. Well solution: 0.27 M sodium phosphate, 1.53 M potassium phosphate dibasic pH 4.0; Protein solution: 15.5 mg/ml of protein in 20 mM acetate, pH 5.0, 100 mM NaCl, 50 mM cellobiose, 5 mM cellohexaose