6QFQ
Structure of human Mcl-1 in complex with indole acid inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9763 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 48.064, 48.064, 148.470 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.730 - 1.600 |
R-factor | 0.2161 |
Rwork | 0.214 |
R-free | 0.25480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nl9 |
RMSD bond length | 0.027 |
RMSD bond angle | 2.271 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.450 | 1.660 |
High resolution limit [Å] | 1.600 | 2.740 | 1.600 |
Rmerge | 0.078 | 0.077 | |
Total number of observations | 199340 | ||
Number of reflections | 43693 | 4412 | 4360 |
<I/σ(I)> | 10.2 | ||
Completeness [%] | 99.0 | 99.2 | 98.8 |
Redundancy | 4.6 | 4.7 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 292 | 0.1M BisTRIS buffer pH 6.5, 20% PEGMME5K |