4YHT

bRaf complexed with an inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	93
Detector technology	CCD
Collection date	2009-12-09
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	99.783, 99.783, 161.504
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 3.050
R-factor	0.2003
Rwork	0.199
R-free	0.23290
RMSD bond length	0.007
RMSD bond angle	1.173
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.100
High resolution limit [Å]	3.050	8.270	3.050
Rmerge	0.153	0.038	0.692
Total number of observations	139786
Number of reflections	16082
<I/σ(I)>	6.1
Completeness [%]	99.3	96.3	99.9
Redundancy	8.7	8	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	100 mM Tris pH 8.0, 650 mM NaCl, 3-6 % PEG 8000