7BGN

Crystal structure of MtHISN2-AMP complex, a bifunctional enzyme from the histidine biosynthetic pathway

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	200.892, 67.970, 134.237
Unit cell angles	90.00, 128.93, 90.00

Refinement procedure

Resolution	39.070 - 2.700
R-factor	0.1832
Rwork	0.181
R-free	0.24580
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.771
Data reduction software	XDS
Phasing software	AutoSol
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.450	48.450	2.850
High resolution limit [Å]	2.700	7.830	2.700
Rmerge	0.091	0.030	0.730
Number of reflections	33411	5848	6725
<I/σ(I)>	11.1	28.7	2
Completeness [%]	94.1	99.2	55.8
Redundancy	3.9	3.5	4.1
CC(1/2)	0.997	0.999	0.675

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.2 M potassium iodide, 20% Polyethylene glycol 3350, 10 mM MgCl2, 0.1 mM ZnCl2, and 20 mM AMP (added in 100 mM Hepes pH 7.5), 7.5% glycerol