6IYV

Crystal sturucture of L,D-transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with ertapenem 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 S 6M
Wavelength(s)	0.9778
Spacegroup name	P 21 21 21
Unit cell lengths	68.365, 73.188, 104.233
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.052 - 1.500
R-factor	0.1743
Rwork	0.174
R-free	0.18740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vyp
RMSD bond length	0.005
RMSD bond angle	0.887
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	1.540
High resolution limit [Å]	1.500	1.500
Rmerge	0.070	0.866
Rmeas	0.073
Number of reflections	84210	6190
<I/σ(I)>	26.92	3.42
Completeness [%]	99.9	100
Redundancy	13.1	12.9
CC(1/2)	1.000	0.931

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	NaCl, Bis-Tris, pH 6.0, PEG 3350