5N7E

Crystal structure of the Dbl-homology domain of Bcr-Abl in complex with monobody Mb(Bcr-DH_4).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-21
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.999870
Spacegroup name	C 1 2 1
Unit cell lengths	164.122, 55.568, 45.031
Unit cell angles	90.00, 105.46, 90.00

Refinement procedure

Resolution	43.402 - 1.647
R-factor	0.1852
Rwork	0.183
R-free	0.21940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Chain A: homology model based on 4JE4 Chain B: homology model based on 2Z0Q
RMSD bond length	0.006
RMSD bond angle	0.808
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.402	1.706
High resolution limit [Å]	1.647	1.647
Rmerge	0.037	0.592
Rpim	0.022	0.347
Number of reflections	47055
<I/σ(I)>	18.29
Completeness [%]	99.3	93.25
Redundancy	3.8
CC(1/2)	0.999	0.946

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.12 M monosaccharides (0.2M D-Glucose; 0.2M D-Mannose; 0.2M D-Galactose; 0.2M L-Fucose; 0.2M D-Xylose; 0.2M N-Acetyl-D-Glucosamine); 0.1 M buffer system 2 pH 7.5 (Sodium HEPES; MOPS (acid)); 50% precipitant mix 1 (40% v/v PEG 500* MME; 20 % w/v PEG 20000)