8RG2

Structure of BlaC from Mycobacterium tuberculosis at pH 8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.8731
Spacegroup name	P 21 21 21
Unit cell lengths	54.131, 54.633, 80.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.480 - 1.800
R-factor	0.16235
Rwork	0.161
R-free	0.18853
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.496
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.480	1.840
High resolution limit [Å]	1.800	1.800
Number of reflections	22101	929
<I/σ(I)>	9.7
Completeness [%]	97.6
Redundancy	1.8
CC(1/2)	0.995	0.588

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1 M Tris pH 8 (buffer) 20%w/v PEG 6K (precipitant) 0.01 M ZnCl2 (salt)