5FC4
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 | CCD |
Collection date | 2013-06-29 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 51.327, 61.605, 42.216 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.108 - 1.500 |
R-factor | 0.1602 |
Rwork | 0.158 |
R-free | 0.19620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4zbf |
RMSD bond length | 0.019 |
RMSD bond angle | 1.624 |
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 | 1.560 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.050 | 0.360 |
Number of reflections | 21659 | |
<I/σ(I)> | 12.5 | 4.9 |
Completeness [%] | 98.0 | 97 |
Redundancy | 7.5 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | PEG 3350, magnesium chloride, Bis-Tris |