8F7I

The condensation domain of surfactin A synthetase C variant 18b in space group P43212

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	75.975, 75.975, 230.026
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.070 - 1.580
R-factor	0.2054
Rwork	0.205
R-free	0.21790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.678
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.610
High resolution limit [Å]	1.580	1.580
Number of reflections	93097	8747
<I/σ(I)>	1.3
Completeness [%]	99.9
Redundancy	13
CC(1/2)	0.999	0.709

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