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) |