9HIT

Structure of P167S/D240G BlaC from Mycobacterium tuberculosis

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	2021-09-30
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	38.899, 54.448, 53.943
Unit cell angles	90.00, 92.40, 90.00

Refinement procedure

Resolution	38.900 - 1.300
R-factor	0.154
Rwork	0.141
R-free	0.17900
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.900	1.320
High resolution limit [Å]	1.300	1.300
Number of reflections	55085	2733
<I/σ(I)>	7.2
Completeness [%]	99.5
Redundancy	1.3
CC(1/2)	0.995	0.548

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M sodium cacodylate pH 6.07 1.16 M trisodium citrate (Precipitant)