2RFS

X-ray structure of SU11274 bound to c-Met

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	130
Detector technology	IMAGE PLATE
Collection date	2007-09-19
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	42.104, 43.441, 158.072
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.280 - 2.200
R-factor	0.22594
Rwork	0.224
R-free	0.26152
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r1w
RMSD bond length	0.008
RMSD bond angle	1.117
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.049	0.234
Number of reflections	13955
<I/σ(I)>	23.6	4.7
Completeness [%]	94.9	91.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.8	298	0.1M HEPES pH 7.8, 15% PEG 4K, 6% 2-propanol, 40mM BME, 3% Ethanol, VAPOR DIFFUSION, temperature 298K