6UDT
X-ray co-crystal structure of compound 10 bound to human Mcl-1
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 | 2013-11-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 43.719, 89.554, 84.641 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.780 - 1.500 |
R-factor | 0.1915 |
Rwork | 0.190 |
R-free | 0.22110 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.135 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.066 | 0.740 |
Number of reflections | 26940 | 2672 |
<I/σ(I)> | 11.2 | |
Completeness [%] | 100.0 | |
Redundancy | 5.87 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1 M Tris pH 8.0, 3% Ethanol, 36% PEG6000 |