1UWH

The complex of wild type B-RAF and BAY439006.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID13
Synchrotron site	ESRF
Beamline	ID13
Temperature [K]	100
Detector technology	CCD
Collection date	2003-03-15
Detector	MARRESEARCH
Spacegroup name	P 41 21 2
Unit cell lengths	110.280, 110.280, 143.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.910 - 2.950
R-factor	0.222
Rwork	0.222
R-free	0.25100 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wfc 3lck 1jpa
RMSD bond length	0.009
RMSD bond angle	1.190 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	BEAST
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.070
High resolution limit [Å]	2.950	2.950
Rmerge	0.123	0.351
Total number of observations	66126 *
Number of reflections	18727	1968 *
<I/σ(I)>	8.8	2.1
Completeness [%]	98.0	98
Redundancy	3.5	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	8.5	20 *	pH 8.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	Tris-HCl	100 (mM)	pH8.5
2	1	1	PEG8000	8 (%(w/v))