4K73

X-ray crystal structure of an L,D-transpeptidase from Mycobacterium tuberculosis H37Rv

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-01-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.977408
Spacegroup name	P 21 21 21
Unit cell lengths	44.240, 46.440, 111.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.480 - 1.650
R-factor	0.19753
Rwork	0.196
R-free	0.23077
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.712
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.650
Rmerge	0.052
Number of reflections	28136
<I/σ(I)>	18.23
Completeness [%]	99.1
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	MCSG1 E9: 0.2 M calcium chloride, 20% PEG3350, pH 7.50, VAPOR DIFFUSION, SITTING DROP, temperature 289K
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	MCSG1 E9: 0.2 M calcium chloride, 20% PEG3350, pH 7.50, VAPOR DIFFUSION, SITTING DROP, temperature 289K