2YJ0

X-ray structure of chemically engineered Mycobacterium tuberculosis Dodecin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-26
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	C 2 2 21
Unit cell lengths	94.000, 103.800, 82.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.400
R-factor	0.22038
Rwork	0.217
R-free	0.27493
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2YIZ NULL
RMSD bond length	0.005
RMSD bond angle	1.156
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.080	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.110	0.690
Number of reflections	16225
<I/σ(I)>	15.2	2.8
Completeness [%]	99.9	100
Redundancy	6.1	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				2M NACL, 2M AMMONIUM SULPHATE