8XEO

Crystal structure of MNT antitoxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	58.169, 61.593, 66.483
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.180 - 2.790
R-factor	0.2211
Rwork	0.215
R-free	0.27390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.513
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20rc4_4418)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.850
High resolution limit [Å]	2.790	2.790
Number of reflections	11301	305
<I/σ(I)>	22.3
Completeness [%]	99.7
Redundancy	6
CC(1/2)	0.974	0.879

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% (w/v) PEG 6000, 0.1 M citric acid/sodium hydroxide, pH 4.0, 1M lithium chloride