2QYQ

Human raf kinase inhibitor protein (rkip) in complex with o-phosphotyrosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	100
Detector technology	CCD
Collection date	2003-08-15
Detector	BRUKER SMART 6000
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	83.674, 33.892, 59.705
Unit cell angles	90.00, 96.09, 90.00

Refinement procedure

Resolution	59.760 - 1.948
R-factor	0.157
Rwork	0.154
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1beh
RMSD bond length	0.020
RMSD bond angle	1.649
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.760	2.020
High resolution limit [Å]	1.948	1.948
Rmerge	0.081	0.234
Number of reflections	11833
<I/σ(I)>	18.2	3.7
Completeness [%]	95.4	78.7
Redundancy	5.7	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	Initial crystallisation: 32-34% PEG 4OOO or 8000, 0.2 M sodium acetate, 0.1 M sodium acetate pH 4.0. Complex formed by soaking in: 32% PEG 4OOO, 0.2 M sodium chloride, 0.1 M O-phosphotyrosine, 0.1 M hepes pH 7.0., VAPOR DIFFUSION, HANGING DROP, temperature 291K