5ZT7

SirB from Bacillus subtilis with Co2+

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-06
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1.0, 1.60518, 1.60612, 1.56556
Spacegroup name	P 1 21 1
Unit cell lengths	64.960, 52.090, 75.470
Unit cell angles	90.00, 112.09, 90.00

Refinement procedure

Resolution	36.845 - 2.940
R-factor	0.2472
Rwork	0.246
R-free	0.27620
Structure solution method	MAD
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.845	36.845	3.040
High resolution limit [Å]	2.940	10.000	2.940
Rmerge	0.100	0.037	0.944
Rmeas	0.118	0.044	1.119
Total number of observations	66619
Number of reflections	10156	480	1882
<I/σ(I)>	9.14	29.9	1.28
Completeness [%]	99.3	95.8	99.2
Redundancy	3.427	3.569	3.476
CC(1/2)	0.996	0.997	0.603

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.2 M Lithium acetate, 20% (w/v) PEG 3350, 10 mM Cobalt chlroide