9QI5

Crystal structure of I105R mutant of BlaC from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-29
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.8731
Spacegroup name	P 21 21 21
Unit cell lengths	39.161, 40.975, 267.495
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.620 - 1.800
R-factor	0.1754
Rwork	0.173
R-free	0.21118
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.524
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.620	1.840
High resolution limit [Å]	1.800	1.800
Number of reflections	40588	2018
<I/σ(I)>	8.2	1.6
Completeness [%]	98.6
Redundancy	1.8
CC(1/2)	0.995	0.589

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.08	291	22%v/v PEGSM, 0.2M Na Acetate, 0.024M Zn Chloride