6C87

Crystal structure of rab gdp dissociation inhibitor alpha from Naegleria fowleri

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-02
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	97.340, 103.120, 195.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.950 - 2.600
R-factor	0.1734
Rwork	0.172
R-free	0.22250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cpi chain G as per Morda target identified with SIMBAD
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.950	47.950	2.670
High resolution limit [Å]	2.600	11.630	2.600
Rmerge	0.075	0.025	0.545
Rmeas	0.081	0.028	0.594
Number of reflections	61169	752	4471
<I/σ(I)>	19.54	46.94	3.42
Completeness [%]	99.8	95.3	100
Redundancy	6.228	5.158	6.307
CC(1/2)	0.999	0.999	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	Rigaku Reagents JCSG+ screen E1: 1000 mM Sodium citrate tribasic, 100mM Na cacodylate / HCl pH 6.5 : NafoA.01385.a.B1 at 21.13mg/ml: cryo: 20% EG: tray 295598 E1: puck meu4-5