3GXL
ALK-5 kinase complex with GW857175
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-11-19 |
Detector | MARRESEARCH |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.839, 74.618, 89.652 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.430 - 1.800 |
Rwork | 0.228 |
R-free | 0.26250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1b6c |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
Rmerge | 0.087 | 0.051 | 0.713 |
Number of reflections | 26984 | ||
<I/σ(I)> | 24.993 | ||
Completeness [%] | 100.0 | 99.9 | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | vapor diffusion |