8F7F

The condensation domain of surfactin A synthetase C in space group P43212

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	75.652, 75.652, 228.574
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.600 - 1.620
R-factor	0.1799
Rwork	0.179
R-free	0.19870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.064
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.650
High resolution limit [Å]	1.620	1.620
Rmeas	0.173
Number of reflections	83059	4057
<I/σ(I)>	8.8
Completeness [%]	98.0	97.2
Redundancy	7.6	6
CC(1/2)	0.975	0.432

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.16 M calcium acetate, 0.08 M sodium cacodylate pH 6.5, 14.4% (wt/v) PEG 8K and 20% (v/v) glycerol