6QYL
Structure of MBP-Mcl-1 in complex with compound 8a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-04-15 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97857 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 100.120, 136.260, 37.850 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.200 |
R-factor | 0.1852 |
Rwork | 0.183 |
R-free | 0.23490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5lof |
RMSD bond length | 0.008 |
RMSD bond angle | 1.487 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.250 |
High resolution limit [Å] | 2.120 | 2.120 |
Rmerge | 0.062 | 0.603 |
Number of reflections | 30068 | |
<I/σ(I)> | 17 | 2.2 |
Completeness [%] | 99.4 | 97.5 |
Redundancy | 4.5 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 284 | 25% PEG3350, 0.2M MAGNESIUM FORMATE, 1MM MALTOSE |