4LZP

Structure of the TIR domain of the immunosuppressor BtpA from Brucella

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	173
Detector technology	CCD
Collection date	2011-09-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.976260
Spacegroup name	P 2 21 21
Unit cell lengths	68.143, 73.928, 137.645
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.400 - 3.150
R-factor	0.2252
Rwork	0.222
R-free	0.27870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h16
RMSD bond length	0.009
RMSD bond angle	0.992
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.400	48.420	3.320
High resolution limit [Å]	3.150	9.960	3.150
Rmerge	0.169	0.035	0.668
Number of reflections	43030
<I/σ(I)>		13.7	1.5
Completeness [%]	98.1	93.8	99.2
Redundancy		3.2	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5.5	293	20% Peg4K, 100mM Na Acetate, 200mM ammonium acetate, pH 5.5, EVAPORATION, temperature 293K