8Z9B

Low molecular weight antigen MTB12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	125
Detector technology	PIXEL
Collection date	2023-12-11
Detector	STFC Large Pixel Detector
Wavelength(s)	0.97942
Spacegroup name	P 41 21 2
Unit cell lengths	100.670, 100.670, 98.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.840 - 2.680
Rwork	0.278
R-free	0.30400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.016
RMSD bond angle	1.813
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.840	2.776
High resolution limit [Å]	2.680	2.680
Number of reflections	14762	1447
<I/σ(I)>	22.6
Completeness [%]	99.8
Redundancy	26.1
CC(1/2)	0.999	0.768

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	1.8 M Ammonium sulfate, 0.1 M Citric acid pH 3.7