4QTF

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
Detector	MAR-325 CCD detector
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	57.272, 65.881, 207.456
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.350 - 2.000
R-factor	0.21522
Rwork	0.213
R-free	0.25766
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qr7
RMSD bond length	0.019
RMSD bond angle	2.162
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall
Low resolution limit [Å]	43.300
High resolution limit [Å]	2.000
Number of reflections	25603

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.03 M citric acid, 0.07 M BIS-TRIS propane pH 7.6 and 20% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 289K