5FDR
Mcl-1 complexed with small molecule inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-04-07 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 0.987 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.040, 115.005, 95.327 |
Unit cell angles | 90.00, 91.17, 90.00 |
Refinement procedure
Resolution | 28.751 - 2.600 |
R-factor | 0.2271 |
Rwork | 0.224 |
R-free | 0.28340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hw2 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.326 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.660 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.100 | 0.460 |
Number of reflections | 22089 | |
<I/σ(I)> | 5.3 | 1.5 |
Completeness [%] | 94.9 | 87 |
Redundancy | 4.1 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | PEG 3350, Bis-Tris, magnesium chloride |