6Z0F

Crystal structure of the membrane pseudokinase YukC/EssB from Bacillus subtilis T7SS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-10
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	C 1 2 1
Unit cell lengths	149.015, 83.410, 106.445
Unit cell angles	90.00, 108.16, 90.00

Refinement procedure

Resolution	29.420 - 2.553
R-factor	0.2369
Rwork	0.235
R-free	0.26850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ynq 4ano
RMSD bond length	0.006
RMSD bond angle	0.740
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.420	2.858
High resolution limit [Å]	2.553	2.553
Rmerge	0.227	1.482
Rpim	0.101	0.579
Number of reflections	26268	1314
<I/σ(I)>	4.7	1.2
Completeness [%]	92.3	62.1
Redundancy	6.1	7.5
CC(1/2)	0.979	0.588

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	15 %w/v PEG 2K, 0.1 M MgCl2, 50 mM HEPES pH 7.5