8W4W

Neutron structure of cellulase Cel6A from Phanerochaete chrysosporium at room temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	298
Detector technology	PIXEL
Collection date	2018-05-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	55.580, 68.040, 90.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.500 - 1.860
Rwork	0.209
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.040
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	1.380
High resolution limit [Å]	1.360	1.860	1.360
Rmerge	0.066	0.677	0.286
Number of reflections	70839	2700	3095
<I/σ(I)>	32.2
Completeness [%]	95.6
Redundancy	10.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	polyethylene glycol 3350, sodium chloride,2-methyl-2,4-pentandiol, acetate buffer
1	VAPOR DIFFUSION, SITTING DROP		293	polyethylene glycol 3350, sodium chloride,2-methyl-2,4-pentandiol, acetate buffer