3TZM

TGF-beta Receptor type 1 in complex with SB431542

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-29
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	41.771, 77.726, 90.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.450 - 1.700
R-factor	0.17214
Rwork	0.170
R-free	0.20501
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1py5
RMSD bond length	0.009
RMSD bond angle	1.232
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.760
High resolution limit [Å]	1.700	1.700
Number of reflections	31955
<I/σ(I)>		5.4
Completeness [%]	96.8	99.8
Redundancy		5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	100 mM Imidazole 10% PEG 8000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K