3CKN

Crystal Structure of a Mycobacterial Protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0053
Spacegroup name	P 41 21 2
Unit cell lengths	86.862, 86.862, 104.243
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.20657
Rwork	0.206
R-free	0.23243
Structure solution method	Rigid body refinement
RMSD bond length	0.009
RMSD bond angle	1.158
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000
High resolution limit [Å]	2.200	2.200
Number of reflections	19867
<I/σ(I)>	5.9
Redundancy	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	1 M Ammonium sulphate, 0.1 M HEPES pH 7.0, 20 mM Manganese chloride, 1 mM Sodium thiosulphate, 100 mM uridine-5 -diphosphate, VAPOR DIFFUSION, HANGING DROP, temperature 293K