6OHZ

Structure of an uncharacterized protein 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	2019-03-14
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	C 2 2 2
Unit cell lengths	108.200, 159.400, 37.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.850 - 2.050
R-factor	0.2068
Rwork	0.204
R-free	0.23740
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.822
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]	39.850	39.850	2.100
High resolution limit [Å]	2.050	9.170	2.050
Rmerge	0.036	0.026	0.578
Rmeas	0.041	0.031	0.671
Number of reflections	21126	255	1542
<I/σ(I)>	21.04	44.61	2.08
Completeness [%]	99.8	87.6	99.6
Redundancy	5.086	3.749	3.878
CC(1/2)	0.999	0.998	0.828

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	Optimization screen based on JCSG B12: 16.82% (w/V) PEG 3350, 200mM potassium citrate tribasic: LpboA.19561.b.B1.PS38498 at 15mg/ml, grown at 4C: cryo: 20% EG in 2 steps, tray 307870 b3: puck rvo6-2. For experimental phasing, a crystal from the same optimization screen, well C10, with LpboA.19561.b.B1.PS38498 at 22mg/ml, grown at 14C was incubated for 15 sec each in a solution of 90% reservoir and 10% 2.5M sodium ioidide in ethylene glycol, and a solution of 80% reservoir and 20% 2.5M sodium iodide in ethylene glycol, and vitrified in liquid nitrogen: tray 305816 C10: puck vvv2-11
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	Optimization screen based on JCSG B12: 16.82% (w/V) PEG 3350, 200mM potassium citrate tribasic: LpboA.19561.b.B1.PS38498 at 15mg/ml, grown at 4C: cryo: 20% EG in 2 steps, tray 307870 b3: puck rvo6-2. For experimental phasing, a crystal from the same optimization screen, well C10, with LpboA.19561.b.B1.PS38498 at 22mg/ml, grown at 14C was incubated for 15 sec each in a solution of 90% reservoir and 10% 2.5M sodium ioidide in ethylene glycol, and a solution of 80% reservoir and 20% 2.5M sodium iodide in ethylene glycol, and vitrified in liquid nitrogen: tray 305816 C10: puck vvv2-11