5XCY

Structure of the cellobiohydrolase Cel6A from Phanerochaete chrysosporium at 1.2 angstrom

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]	100
Detector technology	CCD
Collection date	2012-10-30
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	54.712, 67.180, 89.113
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.431 - 1.199
R-factor	0.1391
Rwork	0.138
R-free	0.15770
RMSD bond length	0.005
RMSD bond angle	0.831
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.199
Number of reflections	103410
<I/σ(I)>	43.7
Completeness [%]	99.8
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	polyethylene glycol 3350, 2-methyl-2,4-pentandiol, calcium acetate, acetate buffer,