6P3P
Crystal structure of Mcl-1 in complex with compound 65
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.075 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.229, 48.245, 40.707 |
Unit cell angles | 90.00, 108.50, 90.00 |
Refinement procedure
Resolution | 38.600 - 1.610 |
R-factor | 0.19119 |
Rwork | 0.190 |
R-free | 0.21347 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mk8 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.385 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.670 |
High resolution limit [Å] | 1.610 | 1.610 |
Number of reflections | 17834 | 1118 |
<I/σ(I)> | 18.9 | 2.2 |
Completeness [%] | 99.0 | 99 |
Redundancy | 3.5 | 3.2 |
CC(1/2) | 0.991 | 0.734 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 100 mM Bicine pH 8.5, 35% PEG 1500 and 10% ethanol |