6AQ3

Crystal structure of a trafficking protein particle complex subunit 3 from Naegleria fowleri covalently bound to palmitic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 1
Unit cell lengths	53.640, 78.670, 80.570
Unit cell angles	114.55, 87.67, 95.02

Refinement procedure

Resolution	33.381 - 2.400
R-factor	0.173
Rwork	0.171
R-free	0.20860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sz7
RMSD bond length	0.008
RMSD bond angle	0.920
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.381	33.381	2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.043	0.023	0.550
Rmeas	0.050	0.027	0.636
Number of reflections	45852	489	3373
<I/σ(I)>	18.62	43.64	2.75
Completeness [%]	98.1	94	97.6
Redundancy	3.868	3.566	3.975
CC(1/2)	0.999	0.998	0.828

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	22 mg/mL NafoA.00964.a.B1 PS38152 against JCSG+ screen condition H10 (0.2 M ammonium sulfate, 0.1 M Bis-Tris, pH 5.5, 25% PEG3350), cryoprotectant: 15% ethylene glycol, crystal tracking ID 288103h10, unique puck ID afj8-5