2X9N

High resolution structure of TbPTR1 in complex with cyromazine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-10
Detector	ADSC QUANTUM 315
Spacegroup name	P 1 21 1
Unit cell lengths	74.500, 90.000, 82.400
Unit cell angles	90.00, 115.50, 90.00

Refinement procedure

Resolution	20.000 - 1.150
R-factor	0.1258
R-free	0.15250
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.016
RMSD bond angle	0.035
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.130	1.200
High resolution limit [Å]	1.150	1.150
Rmerge	0.060	0.230
Number of reflections	385887
<I/σ(I)>	15.3	4.3
Completeness [%]	96.2	93.7
Redundancy	3.4	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		PROTEIN BUFFER 20 MM TRIS, PH 7.5 RESERVOIR 2.5 M SODIUM ACETATE, 50 MM SODIUM CITRATE PH 4.5