8W4X

Neutron structure of cellulase Cel6A from Phanerochaete chrysosporium at room temperature, Enzyme-Product complex

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]	298
Detector technology	CCD
Collection date	2017-05-10
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	54.730, 68.260, 89.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.800 - 1.800
Rwork	0.147
R-free	0.16600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.006
Data reduction software	STARGazer
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	1.940	1.420
High resolution limit [Å]	1.400	1.800	1.400
Rmerge	0.066	0.466	0.373
Number of reflections	66928	2466	3314
<I/σ(I)>	46.2	1.9	5.5
Completeness [%]	99.9
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	polyethylene glycol 3350, sodium chloride, cellotriose
1	VAPOR DIFFUSION, SITTING DROP		293	polyethylene glycol 3350, sodium chloride, cellotriose