8W8U

High-resolution X-ray structure of cellulase Cel6A from Phanerochaete chrysosporium at cryogenic temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-01
Detector	ADSC QUANTUM 270
Wavelength(s)	0.8
Spacegroup name	P 21 21 21
Unit cell lengths	54.926, 67.018, 88.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.300 - 0.800
Rwork	0.116
R-free	0.12800
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	SHELXL

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	3.580	0.820
High resolution limit [Å]	0.800	2.530	0.800
Rmerge	0.088	0.076	0.786
Rmeas	0.096	0.080	0.928
Number of reflections	647100	13582	45711
<I/σ(I)>	8.19
Completeness [%]	97.4
Redundancy	4.3
CC(1/2)	0.998	0.997	0.577

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION		293	polyethylene glycol 3350, 2-methyl-2,4-pentandiol, calcium acetate, acetate buffer,