6LFA

Structure of the N-terminal domain of Wag31

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	2018-09-26
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	C 1 2 1
Unit cell lengths	44.988, 53.768, 61.240
Unit cell angles	90.00, 100.79, 90.00

Refinement procedure

Resolution	30.080 - 2.300
Rwork	0.175
R-free	0.22460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wuj
RMSD bond angle	12.824
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.080	2.383
High resolution limit [Å]	2.300	2.301
Rmerge	0.235	1.050
Rmeas	0.245
Rpim	0.070	0.345
Number of reflections	6374	592
<I/σ(I)>	7.45	2.22
Completeness [%]	98.6	92.21
Redundancy	12.1	9.9
CC(1/2)	0.995	0.765

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	292	0.2 M MgCl2, 0.1 M Na cacodylate, 50% (v/v) PEG 200