7A5W

Structure of D172N BlaC from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	54.028, 54.469, 78.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.840 - 1.400
R-factor	0.13634
Rwork	0.135
R-free	0.17229
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gdn
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.800	1.420
High resolution limit [Å]	1.400	1.400
Rpim	0.041	0.524
Number of reflections	45377	2246
<I/σ(I)>	9.3	1.8
Completeness [%]	98.0
Redundancy	3	2.8
CC(1/2)	0.997	0.707

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M MES, 0.1 M Imidazole, 30% EDO_8K, 0.09 M halogens (Sodium Fluoride, Sodium Bromide, Sodium Iodide)