9HJ2

Structure of P167S/D240G/D172A/S104G/H184R BlaC from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-22
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	53.827, 57.270, 76.927
Unit cell angles	90.00, 95.71, 90.00

Refinement procedure

Resolution	53.620 - 1.600
R-factor	0.23301
Rwork	0.232
R-free	0.25150
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.620	1.430
High resolution limit [Å]	1.400	1.400
Number of reflections	87116	3041
<I/σ(I)>	5
Completeness [%]	95.1
Redundancy	1.4
CC(1/2)	0.975	0.335

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M MES buffer pH 6.3 0.864 M trisodium citrate (additive)