9PV2

Structure of S. aureus GpsB N-terminal domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	38.373, 55.531, 77.077
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.060 - 1.750
R-factor	0.2013
Rwork	0.198
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.590
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.073	0.401
Rmeas	0.097	0.378
Number of reflections	16728	721
<I/σ(I)>	22.7	2.6
Completeness [%]	97.1	87
Redundancy	6.8	5.8
CC(1/2)	0.991	0.931

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	1.0 M Succinic acid 0.1 M HEPES pH 7.0 1% w/v PEG 2000 MME