6ULO

Structure of an N-terminally truncated uncharacterized protein from Leptospira interrogans serogroup Icterohaemorrhagiae serovar Copenhageni (strain Fiocruz L1-130)

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	2019-08-15
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1
Unit cell lengths	52.440, 56.650, 60.990
Unit cell angles	98.64, 106.33, 83.33

Refinement procedure

Resolution	32.240 - 1.300
R-factor	0.138
Rwork	0.138
R-free	0.17220
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.112
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.330
High resolution limit [Å]	1.300	5.810	1.300
Rmerge	0.036	0.018	0.557
Rmeas	0.041	0.021	0.645
Number of reflections	155840	1802	11165
<I/σ(I)>	19.58	56.42	2.35
Completeness [%]	95.3	98.5	92.6
Redundancy	3.927	3.816	3.953
CC(1/2)	1.000	0.999	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	290	Molecular Dimensions Morpheus screen, condition H5: 10% w/v PEG 20 000, 20% v/v PEG MME 550: 20mM of each amino acid: sodium l-glutamate, DL-alanine, glycine, DL-lysine HCl, DL-serine: 100mM MOPS/HEPES-Na pH 7.5: LpinA.195645.a.B2.PW386228 at 23mg/ml. Cryo: direct: tray 310523 h5: puck PAS1-8. For phasing a crystal from the same tray, well C1 (10% w/v PEG 20 000, 20% v/v PEG MME 550: 30mM of each sodium nitrate, disodium hydrogen phosphate, ammonium sulfate: 100mM MES/imidazole pH 6.5) was incubated for 20sec in a mixture of 10% 5M sodium iodide in ethylene glycol (500mM final NaI concentration) and 90% reservoir solution. Diffraction data were collected in-house.Tray 310523 c1: puck LOF7-9
1	VAPOR DIFFUSION, SITTING DROP	9.5	290	Molecular Dimensions Morpheus screen, condition H5: 10% w/v PEG 20 000, 20% v/v PEG MME 550: 20mM of each amino acid: sodium l-glutamate, DL-alanine, glycine, DL-lysine HCl, DL-serine: 100mM MOPS/HEPES-Na pH 7.5: LpinA.195645.a.B2.PW386228 at 23mg/ml. Cryo: direct: tray 310523 h5: puck PAS1-8. For phasing a crystal from the same tray, well C1 (10% w/v PEG 20 000, 20% v/v PEG MME 550: 30mM of each sodium nitrate, disodium hydrogen phosphate, ammonium sulfate: 100mM MES/imidazole pH 6.5) was incubated for 20sec in a mixture of 10% 5M sodium iodide in ethylene glycol (500mM final NaI concentration) and 90% reservoir solution. Diffraction data were collected in-house.Tray 310523 c1: puck LOF7-9