6NR6

Crystal Structure of Staphylococcus pseudintermedius SbnI in complex with ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97896
Spacegroup name	P 21 21 2
Unit cell lengths	101.644, 73.074, 88.372
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.811 - 1.900
R-factor	0.2088
Rwork	0.207
R-free	0.24210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ujd
RMSD bond length	0.006
RMSD bond angle	0.739
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.811	37.810	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.046	0.026	0.867
Rmeas	0.050	0.029	0.943
Rpim	0.019	0.012	0.367
Number of reflections	52452	553	3204
<I/σ(I)>	17.7
Completeness [%]	99.7	98.7	96.1
Redundancy	6.6	6	6.3
CC(1/2)	0.999	0.995	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	0.16 M calcium acetate, 0.1 M imidazole (pH 8), 8% (v/v) PEG 8000