9RA4

Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with cyclobutene C2

This is a non-PDB format compatible entry.

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	2021-02-17
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 2
Unit cell lengths	76.055, 94.608, 60.248
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.250 - 2.250
R-factor	0.2329
Rwork	0.232
R-free	0.25980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.480
Data reduction software	XDS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.12.1.5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.250	2.290
High resolution limit [Å]	2.250	2.250
Rmeas	0.134	0.885
Number of reflections	21165	1025
<I/σ(I)>	11.6	1.5
Completeness [%]	100.0
Redundancy	13.7	10.9
CC(1/2)	0.996	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M Ammonium nitrate, 20% PEG 3350