8R88

Structure of P107T 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	2020-12-02
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	47.002, 70.616, 124.594
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	124.590 - 1.950
R-factor	0.17153
Rwork	0.170
R-free	0.20280
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	124.590	2.000
High resolution limit [Å]	1.950	1.950
Number of reflections	58924	3969
<I/σ(I)>	8.6	2.4
Completeness [%]	99.0
Redundancy	1.9
CC(1/2)	0.995	0.842

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M MB1 (pH 6.5), 0.06 M divalent, 30 %w/v 550M_20K