7U7H

Cysteate acyl-ACP transferase from Alistipes finegoldii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97933
Spacegroup name	P 31
Unit cell lengths	127.516, 127.516, 177.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.550 - 2.900
R-factor	0.2206
Rwork	0.218
R-free	0.26820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3a2b
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.19.1_4122)
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.550	3.070
High resolution limit [Å]	2.900	2.900
Number of reflections	71215	22569
<I/σ(I)>	11.9	1.5
Completeness [%]	99.6	98.3
Redundancy	5.5	5.3
CC(1/2)	0.998	0.782

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	12% PEG 8000, 100 mM sodium cacodylate, 100 mM calcium acetate