8RBD

Crystal structure of Mycobacterium tuberculosis MmaA1 with Sinefungin (SFG)

This is a non-PDB format compatible entry.

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	41.230, 74.136, 96.774
Unit cell angles	90.00, 90.43, 90.00

Refinement procedure

Resolution	19.860 - 1.500
R-factor	0.1657
Rwork	0.165
R-free	0.19240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.917
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX (1.20.1-4487-000)
Refinement software	PHENIX (1.20.1-4487-000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.610
High resolution limit [Å]	1.500	1.550
Rmerge	0.057	1.054
Rmeas	0.064	1.188
Rpim	0.029	0.543
Number of reflections	92976	8403
<I/σ(I)>	12.55	1.01
Completeness [%]	99.7	98.91
Redundancy	4.6	4.6
CC(1/2)	0.999	0.585

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