9MXM

EatA catalytic domain from Mycobacterium abscessus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	87.960, 94.790, 175.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.970 - 2.060
R-factor	0.1943
Rwork	0.192
R-free	0.23280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.870
Data reduction software	xia2 (3.10.dev0)
Data scaling software	xia2 (3.10.dev0)
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.970	2.100
High resolution limit [Å]	2.060	2.060
Number of reflections	45680	2266
<I/σ(I)>	5.5
Completeness [%]	100.0
Redundancy	6.7
CC(1/2)	0.989	0.312

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291.15	0.15M KBr, 30% PEG3000 MME