3TUR

Crystal Structure of M. tuberculosis LD-transpeptidase type 2 complexed with a peptidoglycan fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-01
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	I 21 21 21
Unit cell lengths	119.132, 120.829, 122.847
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	85.690 - 1.720
R-factor	0.2004
Rwork	0.199
R-free	0.23460
RMSD bond length	0.031
RMSD bond angle	2.595
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall
Low resolution limit [Å]	85.700
High resolution limit [Å]	1.720
Number of reflections	84134
<I/σ(I)>	29.2
Completeness [%]	94.3
Redundancy	3.5

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, VAPOR DIFFUSION, HANGING DROP, temperature 298K