3TXY

Structure of an Isochorismatase family protein (BTH_II2229) from Burkholderia thailandensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-21
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 62 2 2
Unit cell lengths	61.790, 61.790, 181.770
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.110 - 1.700
R-factor	0.1818
Rwork	0.181
R-free	0.20240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j2r
RMSD bond length	0.009
RMSD bond angle	1.380
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]	181.770		1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.054	0.033	0.404
Number of reflections	22855	342	1484
<I/σ(I)>	30.97	74.39	4.48
Completeness [%]	96.7	94.5	87.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	0.2M Sodium Malonate, 0.1 M BisTris propane, 20% PEG3350, Protein 55.9 mg/ml, Cryo protection 25% ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K