7UGH

Crystal Structure of enolase family protein from Naegleria fowleri with bound 2-phosphoglyceric acid

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	2021-09-16
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 41 21 2
Unit cell lengths	96.860, 96.860, 216.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.260 - 1.950
R-factor	0.1537
Rwork	0.153
R-free	0.19140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4a3r
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.260	47.260	2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.057	0.029	0.599
Rmeas	0.062	0.032	0.646
Total number of observations	520503
Number of reflections	75148	965	5432
<I/σ(I)>	19.58	41.81	3.16
Completeness [%]	98.9	94.9	98.5
Redundancy	6.926	5.815	7.077
CC(1/2)	0.999	0.998	0.868

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	Protein at 36 mg/mL was combined with 5 mM 2-PG and mixed 1:1 (0.2 uL protein and 0.2 uL precipitant) with 85 mM Tris/HCl pH 8.5, 25.5% (w/v) PEG4000, 15% glycerol, and 170 mM sodium acetate (JCSG TOP96 A11). Cryo: Direct. Puck: vfn4-7