6U0J

Crosslinked Crystal Structure of Malonyl-CoA Acyl Carrier Protein Transacylase, FabD, and Acyl Carrier Protein, AcpP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	73.150, 56.846, 99.874
Unit cell angles	90.00, 97.84, 90.00

Refinement procedure

Resolution	44.727 - 1.900
R-factor	0.1865
Rwork	0.185
R-free	0.22130
Structure solution method	MOLECULAR REPLACEMENT
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.730	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.305	1.779
Rmeas	0.329	1.927
Rpim	0.122	0.732
Total number of observations	231636
Number of reflections	32206	2091
<I/σ(I)>	7.2
Completeness [%]	99.9	99.8
Redundancy	7.2	6.8
CC(1/2)	0.988	0.468

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	281	1 % PEG 400, 0.1 M sodium cacodylate pH 6.5, and 2.5 M ammonium sulfate