6VZZ

Crystal structure of glucokinase from Balamuthia mandrillaris in complex with glucose

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	2020-02-20
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 41 3 2
Unit cell lengths	157.300, 157.300, 157.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.740 - 2.650
R-factor	0.1774
Rwork	0.174
R-free	0.20390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3 domains of PDB entry 6DA0 as per MORDA
RMSD bond length	0.005
RMSD bond angle	0.755
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.18)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.720
High resolution limit [Å]	2.650	11.850	2.650
Rmerge	0.091	0.041	0.605
Rmeas	0.095	0.043	0.628
Number of reflections	19871	273	1431
<I/σ(I)>	22.86	43.3	5.16
Completeness [%]	99.6	91.9	100
Redundancy	13.219	9.872	13.5
CC(1/2)	0.998	0.997	0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	8.35 mg/mL BamaA.19900.a.MP3.PS38592 in 2 mM glucose, 2 mM AMPPNP, 2 mM magnesium chloride against RigakuReagents Wizard 3/4 screen, condition E11 (30% v/v PEG300, 200 mM calcium acetate, 100 mM sodium cacodylate/HCl, pH 6.5), direct cryoprotection, tray 311701e11, puck zcg0-8