6OEW

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2019-02-28
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 43 21 2
Unit cell lengths	65.510, 65.510, 261.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.671 - 1.850
R-factor	0.1731
Rwork	0.171
R-free	0.21470
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	0.989
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.15rc1_3423))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.671	43.671	1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.054	0.033	0.581
Rmeas	0.057	0.035	0.614
Number of reflections	50144	698	3620
<I/σ(I)>	22.16	48.1	3.27
Completeness [%]	100.0	97.6	100
Redundancy	9.57	7.493	9.747
CC(1/2)	0.999	0.999	0.954

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	Molecular Dimensions Morpheus screen, a6: 10% w/v PEG 8000, 20% v/v ethylene glycol, 30mM of each magnesium chloride and calcium chloride, 100mM MOPS/HEPES-Na pH 7.5: LpboA.19557.c.B1.PS38542 at 24.74mg/ml: cryo: direct: tray 306886 a6: puck ogn0-8. For experimental phasing, a crystal from Morpheus screen a3 (10% w/v PEG 4000, 20% v/v glycerol, 30mM of each magnesium chloride and calcium chloride, 100mM MES/imidazole pH 6.5: LpboA.19557.c.B1.PS38542 at 24.74mg/ml) was incubated for 20sec in a solution of 92.5% reservoir and 7.5% 5M Sodium iodide in ethylene glycol, and vitrified: tray: 306886 a3: puck: kzx0-4
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	Molecular Dimensions Morpheus screen, a6: 10% w/v PEG 8000, 20% v/v ethylene glycol, 30mM of each magnesium chloride and calcium chloride, 100mM MOPS/HEPES-Na pH 7.5: LpboA.19557.c.B1.PS38542 at 24.74mg/ml: cryo: direct: tray 306886 a6: puck ogn0-8. For experimental phasing, a crystal from Morpheus screen a3 (10% w/v PEG 4000, 20% v/v glycerol, 30mM of each magnesium chloride and calcium chloride, 100mM MES/imidazole pH 6.5: LpboA.19557.c.B1.PS38542 at 24.74mg/ml) was incubated for 20sec in a solution of 92.5% reservoir and 7.5% 5M Sodium iodide in ethylene glycol, and vitrified: tray: 306886 a3: puck: kzx0-4