8RBL

Crystal structure of Mycobacterium tuberculosis MmaA1 with S-adenosyl homocysteine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-01-22
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.8856
Spacegroup name	P 1 21 1
Unit cell lengths	41.235, 74.334, 96.704
Unit cell angles	90.00, 90.23, 90.00

Refinement procedure

Resolution	19.870 - 1.550
R-factor	0.173
Rwork	0.172
R-free	0.19920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.989
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.610
High resolution limit [Å]	1.550	1.550
Rmerge	0.058	1.189
Rmeas	0.066	1.355
Rpim	0.030	0.639
Number of reflections	84555	8422
<I/σ(I)>	12.73	1.01
Completeness [%]	99.6	98.13
Redundancy	4.6	4.4
CC(1/2)	0.999	0.587

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	277	0.2 M ammonium sulfate, 0.1M sodium cacodylate trihydrate (pH 6.4), 25% (w/v) polyethylene glycol 8,000