8PEJ

CjGH35 with a Galactosidase Activity-Based Probe

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97949
Spacegroup name	P 1
Unit cell lengths	99.316, 116.212, 116.396
Unit cell angles	90.24, 89.89, 90.09

Refinement procedure

Resolution	82.544 - 1.500
Rwork	0.157
R-free	0.18100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.709
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.320	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.043	0.047
Rmeas	0.061	0.660
Rpim	0.043	0.047
Number of reflections	802827	37248
<I/σ(I)>	10.4	2
Completeness [%]	96.3	90
Redundancy	3.4	2.8
CC(1/2)	0.997	0.719

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	291	Sodium acetate