7Q3A

Crystal structure of MAB_4324 a tandem repeat GNAT from Mycobacterium abscessus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-31
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	P 65 2 2
Unit cell lengths	149.960, 149.960, 183.380
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.090 - 2.000
R-factor	0.1871
Rwork	0.186
R-free	0.22570
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.994
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	CRANK
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.100
High resolution limit [Å]	2.000	2.000
Rmeas	0.100	0.870
Number of reflections	80802	8058
<I/σ(I)>	37.4
Completeness [%]	98.3	100
Redundancy	38.3
CC(1/2)	1.000	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	2 M Ammonium sulphate, 0.1 M HEPES pH 7.5 and 2% w/v polyethylene glycol (PEG) 400.