6N3P

Crosslinked AcpP=FabZ complex from E. coli Type II FAS

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	2018-02-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	65.136, 136.185, 152.272
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.495 - 2.500
R-factor	0.2115
Rwork	0.210
R-free	0.25680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1u1z
Data reduction software	XDS
Data scaling software	Aimless (0.7.2)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.490	49.490	2.480
High resolution limit [Å]	2.410	9.920	2.410
Rmerge	0.218	0.073	2.703
Rmeas	0.238	0.079	2.933
Rpim	0.093	0.032	1.130
Total number of observations	344635	4819	30145
Number of reflections	53399	873	4487
<I/σ(I)>	6.8	17.6	1.3
Completeness [%]	99.8	98.9	98
Redundancy	6.5	5.5	6.7
CC(1/2)	0.992	0.996	0.303

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	100 mM Bis-Tris pH 6.5, 200 mM MgCl2, 19% PEG 3350, 1:1 mix of 9.5 mg/mL protein and reservoir solution.