8W4Z

Neutron structure of cellulase Cel6A from Phanerochaete chrysosporium at room temperature, Enzyme-Product complex, H2O solvent

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	2019-02-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	54.810, 68.290, 89.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.290 - 2.590
Rwork	0.222
R-free	0.24190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	0.962
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	2.690	1.830
High resolution limit [Å]	1.800	2.590	1.800
Rmerge	0.087	0.623	0.254
Number of reflections	31948	1149	1574
<I/σ(I)>	19.3
Completeness [%]	100.0
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	5.5	293	polyethylene glycol 4000, sodium chloride, cellotriose, acetate buffer,
1	COUNTER-DIFFUSION	5.5	293	polyethylene glycol 4000, sodium chloride, cellotriose, acetate buffer,