6GVB

Crystal structure of Cutibacterium acnes exo-beta-1,4-mannosidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.07175
Spacegroup name	P 1 21 1
Unit cell lengths	84.180, 104.370, 112.750
Unit cell angles	90.00, 90.27, 90.00

Refinement procedure

Resolution	49.601 - 1.800
R-factor	0.1953
Rwork	0.195
R-free	0.22650
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.859
Data reduction software	XDS (v1.0)
Data scaling software	XSCALE (v1.0)
Phasing software	autoSHARP (3.10.7)
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.601	2.100	1.900
High resolution limit [Å]	1.800	2.000	1.800
Rmeas	0.121	0.008	0.016
Number of reflections	175603	16499	25615
<I/σ(I)>	9.49	1.69	1.92
Completeness [%]	97.4	48.7	96
Redundancy	6.8	2.9	6.7
CC(1/2)	0.997	0.629	0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	0.2 M MOPS buffer, 0.2 M magnesium acetate, 20% (w/v) PEG 8000 and 5 mM D-mannose 20 mM HEPES pH 7.5, 300 mM NaCl, 10% (v/v)glycerol, 0.5 mM TCEP
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	0.2 M MOPS buffer, 0.2 M magnesium acetate, 20% (w/v) PEG 8000 and 5 mM D-mannose 20 mM HEPES pH 7.5, 300 mM NaCl, 10% (v/v)glycerol, 0.5 mM TCEP