6OKC

Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C12-crypto 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	PIXEL
Collection date	2017-12-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	59.070, 112.170, 140.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	87.700 - 1.550
R-factor	0.148
Rwork	0.147
R-free	0.16380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1G5X (FabB search model) 2FAC (AcpP search model)
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	87.700	87.700	1.580
High resolution limit [Å]	1.550	8.480	1.550
Rmerge	0.110	0.048	0.994
Rmeas	0.115	0.051	1.041
Rpim	0.033	0.014	0.306
Total number of observations	1594036	11533	72698
Number of reflections	135639	966	6491
<I/σ(I)>	14.2	30.9	3.3
Completeness [%]	99.6	100	98
Redundancy	11.8	11.9	11.2
CC(1/2)	0.998	0.998	0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	281	20% PEG 8K, 0.2 M magnesium acetate, 0.1 M sodium cacodylate pH 6.5