6O6G
Co-crystal structure of Mcl1 with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-09-25 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.00 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 80.610, 46.418, 45.072 |
Unit cell angles | 90.00, 104.10, 90.00 |
Refinement procedure
Resolution | 27.800 - 2.400 |
R-factor | 0.29 |
Rwork | 0.290 |
R-free | 0.29500 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 6445 | 363 |
<I/σ(I)> | 33.9 | |
Completeness [%] | 88.5 | |
Redundancy | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 100 mM Tris, pH 8.0, 3% Methanol, 30-42.5% PEG 6000 |