7O39

Crystal structure of S. aureus DivIVA N terminal domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97623
Spacegroup name	P 21 21 21
Unit cell lengths	28.108, 39.175, 111.249
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.950 - 1.300
R-factor	0.1612
Rwork	0.160
R-free	0.18480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wuj
RMSD bond length	0.006
RMSD bond angle	0.747
Data reduction software	xia2
Data scaling software	Aimless (0.6.2)
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.080	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.087	0.556
Rmeas	0.101	0.653
Rpim	0.051	0.339
Number of reflections	31216	1504
<I/σ(I)>	10.9	2.5
Completeness [%]	100.0	99.6
Redundancy	6.9	6.8
CC(1/2)	0.990	0.904

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M Carboxylic acids, 0.1 M Buffer system 1 pH 6.5, 37.5 % v/v MPD_P1K_P3350; Morpheus G4