6P61

Structure of a Glycosyltransferase from Leptospira borgpetersenii serovar Hardjo-bovis (strain JB197)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00003
Spacegroup name	P 1 21 1
Unit cell lengths	56.250, 123.170, 76.770
Unit cell angles	90.00, 92.44, 90.00

Refinement procedure

Resolution	33.152 - 1.950
R-factor	0.1519
Rwork	0.151
R-free	0.18350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3BCV_B as per RosettaMR
RMSD bond length	0.007
RMSD bond angle	0.743
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MR-Rosetta
Refinement software	PHENIX ((dev_3500))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.152	33.152	2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.051	0.020	0.373
Rmeas	0.061	0.024	0.477
Total number of observations	246869
Number of reflections	75239	877	5140
<I/σ(I)>	14.82	43.45	2.16
Completeness [%]	99.0	98.1	92.2
Redundancy	3.281	3.231	2.29
CC(1/2)	0.999	0.999	0.797

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	290	Optimization screen based on MCSG-1, condition F3: 200mM Ammonium citrate dibasic pH 5.5, 18% (w/V) PEG 3350: LpboA.19148.a.B1.PS38508 at 26.29mg/ml, seeded: cryo: 20% EG: tray 309474 e3: puck irc8-7. Protein purified in 20mM HEPES pH7, 300mM NaCl, 5% Glycerol, 1mM TCEP