6BW8
Mcl-1 complexed with small molecules
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-25 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.178, 135.397, 95.750 |
Unit cell angles | 90.00, 90.12, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.900 |
R-factor | 0.238 |
Rwork | 0.235 |
R-free | 0.25060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4zbf |
RMSD bond length | 0.006 |
RMSD bond angle | 0.992 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.950 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.083 | 0.328 |
Rmeas | 0.095 | 0.403 |
Rpim | 0.046 | 0.227 |
Number of reflections | 19873 | 846 |
<I/σ(I)> | 12.9 | |
Completeness [%] | 98.6 | 76 |
Redundancy | 3.5 | 2.3 |
CC(1/2) | 0.994 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 20%-30% PEG3350, Magnesium chloride, Bis-Tris |