9MVA

Mycobacterium abscessus Eis2 in complex with Non-hydrolyzable CoenzymeA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-19
Detector	DECTRIS EIGER R 1M
Wavelength(s)	0.987
Spacegroup name	C 2 2 21
Unit cell lengths	195.695, 209.587, 152.291
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.360 - 1.800
R-factor	0.1911
Rwork	0.191
R-free	0.22150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.898
Data reduction software	autoPROC
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.360	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.169
Rpim	0.090
Number of reflections	286623	126307
<I/σ(I)>	7.7
Completeness [%]	100.0	100
Redundancy	8.8
CC(1/2)	0.997	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.2 M MgCl2, 15% PEG400, 0.1 M HEPES pH 7.5