4QR7

Structure and specificity of L-D-Transpeptidase from Mycobacterium tuberculosis and antibiotic resistance: Calcium binding promotes dimer formation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	120
Detector technology	CCD
Collection date	2011-11-30
Detector	ADSC QUANTUM 4r
Spacegroup name	C 2 2 21
Unit cell lengths	57.330, 66.459, 206.865
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.249 - 2.303
R-factor	0.2059
Rwork	0.203
R-free	0.26810
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.179
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	Auto-Rickshaw
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall
Low resolution limit [Å]	103.400
High resolution limit [Å]	2.300
Rmerge	0.056
<I/σ(I)>	13.98

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	0.2 M sodium malonate (pH 7.0) and 20% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 289K