8P5O

Proline activating adenylation domain of gramicidin S synthetase 2 - GrsB1-Acore

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	H 3 2
Unit cell lengths	195.021, 195.021, 346.460
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	60.460 - 2.600
R-factor	0.2238
Rwork	0.223
R-free	0.24870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.499
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19rc6_4061)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.460	2.693
High resolution limit [Å]	2.600	2.600
Number of reflections	77790	7694
<I/σ(I)>	12.86
Completeness [%]	100.0
Redundancy	10.5
CC(1/2)	0.999	0.434

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% PEG 4000, 312mM sodium acetate