8OUG

Exo-beta-d-glucosaminidase from Pyrococcus chitonophagus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.976
Spacegroup name	C 2 2 21
Unit cell lengths	89.400, 120.500, 145.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.420 - 2.100
R-factor	0.1662
Rwork	0.165
R-free	0.21930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.713
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.230
High resolution limit [Å]	2.100	2.100
Rmerge	0.111
Number of reflections	46003	7306
<I/σ(I)>	19.43
Completeness [%]	99.5
Redundancy	11.5
CC(1/2)		0.839

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		308	0.1M SPG buffer pH 8.0, 25% v/v PEG 1500