6ZIE
Crystal structure of MCL-1 in complex with a neutralizing Alphabody CMPX-383B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-09 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.87290 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 69.699, 69.699, 261.289 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.330 - 2.300 |
R-factor | 0.2412 |
Rwork | 0.240 |
R-free | 0.25920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mk8 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.800 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.330 | 2.383 |
High resolution limit [Å] | 2.300 | 2.301 |
Rmerge | 0.111 | |
Rmeas | 0.118 | |
Rpim | 0.039 | |
Number of reflections | 17660 | 1693 |
<I/σ(I)> | 14.61 | 0.85 |
Completeness [%] | 99.7 | 97.31 |
Redundancy | 8.9 | 8.8 |
CC(1/2) | 1.000 | 0.398 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 287 | 2% (w/v) PEG 3000 0.1 M sodium acetate pH 5.5 0.2 M zinc acetate dihydrate |