6WUE

Tetragonal crystal form of SbtB from Synechocystis PCC6803

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-02-21
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92009
Spacegroup name	P 43 21 2
Unit cell lengths	51.571, 51.571, 178.412
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.750 - 1.800
R-factor	0.1882
Rwork	0.186
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dfe
RMSD bond length	0.019
RMSD bond angle	1.655
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.093	0.448
Number of reflections	20957	1851
<I/σ(I)>	29.1	4.3
Completeness [%]	89.5	96.2
Redundancy	7.9
CC(1/2)	0.987	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.2 M trisodium citrate, 0.1 M HEPES pH 7.2, 12% (v/v) isopropanol, 0.2 M nickel chloride