6TR3

Ruminococcus gnavus GH29 fucosidase E1_10125 in complex with fucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97950
Spacegroup name	C 1 2 1
Unit cell lengths	144.219, 48.643, 80.287
Unit cell angles	90.00, 115.02, 90.00

Refinement procedure

Resolution	63.940 - 1.700
R-factor	0.184
Rwork	0.182
R-free	0.21870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oue
RMSD bond length	0.008
RMSD bond angle	1.215
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.940	63.900	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmeas	0.096	0.049	0.716
Rpim	0.054	0.027	0.409
Total number of observations		8882	7972
Number of reflections	55407	2919	2730
<I/σ(I)>	6.9	18.1	1.1
Completeness [%]	99.1	99.6	97.5
Redundancy	3.1	3	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M magnesium chloride, 25% PEG 3350, 0.1 M bis-tris pH 5.5 20mg/ml protein