8TEB

Structure of MKbur

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-28
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	38.338, 93.034, 90.389
Unit cell angles	90.00, 90.05, 90.00

Refinement procedure

Resolution	46.500 - 2.200
Rwork	0.186
R-free	0.23820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.289
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.500	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.113	0.717
Rpim	0.046	0.285
Number of reflections	32249	2760
<I/σ(I)>	13.7	2.8
Completeness [%]	99.5	97.9
Redundancy	7	7
CC(1/2)	0.998	0.849

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	Sitting drops were set up with 150 nL plus 150 nL volumes over 50 microlitre wells; the crystallisation reservoir contained: 20% PEG 8000, 200 mM MgCl2, 100 mM tris pH 8.5 and 3% trehalose. The protein concentration was about 24 mg/mL