6DA0

Crystal structure of glucokinase (NfHK) from Naegleria fowleri

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-17
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	I 4 2 2
Unit cell lengths	202.480, 202.480, 68.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.276 - 2.200
R-factor	0.1557
Rwork	0.154
R-free	0.18720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 5BRH & 1SZ2
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.276	45.276	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.090	0.023	0.572
Rmeas	0.097	0.025	0.633
Number of reflections	36362	443	2642
<I/σ(I)>	17.95	59.95	3.27
Completeness [%]	99.6	92.3	99.7
Redundancy	7.108	6.506	5.296
CC(1/2)	0.999	1.000	0.868

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	13.78 mg/mL NafoA.19900.a.B11.PW39443 + 2 mM magnesium chloride, AMPPNP, beta-D-glucose + Molecular Dimensions Morpheus screen, C8 (12.5% w/v PEG1000, 12.5% w/v PEG3350, 12.5% v/v MPD, 30 mM sodium nitrate, 0.3 M disodium hydrogen phosphate, 0.3 M ammonium sulfate, 100 mM bicine/Trizma base, pH 8.5), cryoprotection: direct, tray 299931c8, puck VSZ1-5