3TX2

Structure of a Probable 6-phosphogluconolactonase from Mycobacterium abscessus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-20
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97949
Spacegroup name	P 21 21 2
Unit cell lengths	136.350, 41.180, 44.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.180 - 1.500
R-factor	0.1926
Rwork	0.192
R-free	0.21060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ico
RMSD bond length	0.009
RMSD bond angle	1.379
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	68.180		1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.068	0.026	0.448
Number of reflections	41365	529	3016
<I/σ(I)>	17.07	37.38	4.37
Completeness [%]	99.6	95.8	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	1600mM sodium citrate, Protein 51.9 mg/ml, Cryo protectant 25% ethlyene glycol, Target DB: MyabA.01244.a.A1 PS00890, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 289K