7KEM

Crystallographic structure of L,D-transpeptidase 2 from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-15
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.458
Spacegroup name	I 21 21 21
Unit cell lengths	117.528, 121.051, 122.699
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.660 - 1.770
R-factor	0.2619
Rwork	0.261
R-free	0.27520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tur
RMSD bond length	0.008
RMSD bond angle	1.451
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.660	1.830
High resolution limit [Å]	1.770	1.770
Rmerge	0.099	0.981
Rmeas	0.108
Number of reflections	80670	8453
<I/σ(I)>	15.6	2.2
Completeness [%]	99.6	99.9
Redundancy	12.3	9.9
CC(1/2)	0.999	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	3M NaOAc