5E51

Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 1 with Faropenem adduct

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 31
Unit cell lengths	58.379, 58.379, 257.397
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.878 - 2.250
R-factor	0.2586
Rwork	0.258
R-free	0.29600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jmn
RMSD bond length	0.010
RMSD bond angle	1.524
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.878	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.053	0.265
Number of reflections	81604
<I/σ(I)>	20
Completeness [%]	87.8
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	PEG6000, Bicine