8TRU

Crystal structure of a CE15 from Fibrobacter succinogenes subsp. succinogenes S85

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2019-02-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0334
Spacegroup name	P 41 21 2
Unit cell lengths	57.280, 57.280, 222.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.937 - 1.900
R-factor	0.2096
Rwork	0.207
R-free	0.25620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.766
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.940	19.940	1.970
High resolution limit [Å]	1.900	4.080	1.900
Rmerge	0.172	0.072	1.134
Rmeas	0.179	0.076	1.181
Rpim	0.051	0.022	0.326
Number of reflections	30281	3283	2969
<I/σ(I)>	10.6	26.3	2.2
Completeness [%]	100.0	100	100
Redundancy	12.5	11.2	12.9
CC(1/2)	0.998	0.999	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	298	20% PEG6000, 100 mM sodium acetate, pH 5.0, 10 mM zinc chloride