8OE5

Structure of P167S BlaC from Mycobacterium tuberculosis at pH 6.3

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
Unit cell lengths	40.627, 53.693, 56.273
Unit cell angles	88.19, 69.58, 87.73

Refinement procedure

Resolution	38.090 - 1.800
R-factor	0.16032
Rwork	0.159
R-free	0.18724
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.516
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.640	1.840
High resolution limit [Å]	1.800	1.800
Number of reflections	39659	2372
<I/σ(I)>	14
Completeness [%]	96.0	94.9
Redundancy	2
CC(1/2)	0.999	0.864

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	293	0.1 M Na Cacod 6.3 pH (Buffer) 1.02 M Na3 Cit (Precipitant)