8PXZ

Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with natural substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-04
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97628
Spacegroup name	P 21 21 2
Unit cell lengths	77.120, 95.830, 59.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.180 - 1.980
R-factor	0.182
Rwork	0.180
R-free	0.22550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.132
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.180	2.010
High resolution limit [Å]	1.980	1.980
Rmerge	0.140	1.997
Rmeas	0.140	2.091
Rpim	0.038	0.606
Number of reflections	31119	1348
<I/σ(I)>	12.3	1.4
Completeness [%]	99.5	89.3
Redundancy	13.2	12.1
CC(1/2)	0.998	0.536

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.1 M HEPES pH 7.0, 25% Jeffamine ED-2001 pH 7.0