3TX4

Crystal Structure of Mutant (C354A) M. tuberculosis LD-transpeptidase type 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Detector technology	CCD
Collection date	2009
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	I 21 21 21
Unit cell lengths	118.784, 121.031, 122.626
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.710 - 2.320
R-factor	0.2134
Rwork	0.210
R-free	0.26590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.023
RMSD bond angle	1.952
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.360
High resolution limit [Å]	2.320	6.290	2.320
Rmerge	0.097	0.061	0.498
Number of reflections	38433
<I/σ(I)>	7.3
Completeness [%]	99.7	98.5	97.5
Redundancy	7	7	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1 M Hepes (pH 7.5), 1 M succinic Acid, 1% (w/v) PEG MME 2000, temperature 298K, VAPOR DIFFUSION, HANGING DROP