6IYW

Crystal sturucture of L,D-transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with Imipenem adduct

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	90
Detector technology	PIXEL
Collection date	2018-04-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9789
Spacegroup name	P 1 21 1
Unit cell lengths	73.200, 103.696, 103.809
Unit cell angles	90.00, 90.26, 90.00

Refinement procedure

Resolution	46.414 - 1.600
R-factor	0.1867
Rwork	0.186
R-free	0.22350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vyp
RMSD bond length	0.007
RMSD bond angle	1.130
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.640
High resolution limit [Å]	1.600	1.600
Rmerge	0.077	0.727
Rmeas	0.084
Number of reflections	201419	14762
<I/σ(I)>	12.54	2.79
Completeness [%]	98.8	98.1
Redundancy	6.78	7.02
CC(1/2)	0.998	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	NaCl, HEPES, pH 6.5, PEG 3350