7A74

Structure of G132N BlaC from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.912
Spacegroup name	P 21 21 21
Unit cell lengths	54.007, 54.596, 79.398
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.030 - 1.600
R-factor	0.15682
Rwork	0.155
R-free	0.18785
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gdn
RMSD bond length	0.010
RMSD bond angle	1.448
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.030	1.630
High resolution limit [Å]	1.600	1.600
Rpim	0.056
Number of reflections	31258	1434
<I/σ(I)>	6	1.5
Completeness [%]	99.0
Redundancy	1.8	1.8
CC(1/2)	0.997	0.630

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M MES, 0.1 M Imidazole, 0.09 M Halogens (Sodium Bromide, Sodium Iodide, Sodium Fluoride), 30% w/v EDO P8K mix(Ethylene Glycol, PEG 8000)