5ZT9

SirB from Bacillus subtilis with Ni2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
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	2017-02-23
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	69.730, 53.700, 78.020
Unit cell angles	90.00, 107.66, 90.00

Refinement procedure

Resolution	43.426 - 2.800
R-factor	0.2137
Rwork	0.212
R-free	0.24530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zt7
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.426	43.426	2.900
High resolution limit [Å]	2.800	10.000	2.800
Rmerge	0.178	0.055	0.997
Rmeas	0.210	0.064	1.185
Total number of observations	92210
Number of reflections	13781	567	2649
<I/σ(I)>	6.24	18.83	1.27
Completeness [%]	99.4	97.8	99.6
Redundancy	3.487	3.691	3.423
CC(1/2)	0.984	0.996	0.512

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	0.1 M Bicine, 20 %(w/v) PEG 6000, 10mM Nickel sulfate