4ESR
Molecular and Structural Characterization of the SH3 Domain of AHI-1 in Regulation of Cellular Resistance of BCR-ABL+ Chronic Myeloid Leukemia Cells to Tyrosine Kinase Inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-12-10 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 68.142, 68.142, 98.489 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.530 |
| R-factor | 0.12503 |
| Rwork | 0.124 |
| R-free | 0.13907 |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.096 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.560 |
| High resolution limit [Å] | 1.530 | 4.150 | 1.530 |
| Rmerge | 0.051 | 0.045 | 0.208 |
| Number of reflections | 34864 | ||
| <I/σ(I)> | 26.2 | ||
| Completeness [%] | 97.5 | 93.8 | 91.8 |
| Redundancy | 14.3 | 11.9 | 13.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3 | 298 | 0.2M ammonium sulphate, 10mM sodium bromide, 0.1M sodium acetate and 7% PEG200 MME, pH 3.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
