5T35
The PROTAC MZ1 in complex with the second bromodomain of Brd4 and pVHL:ElonginC:ElonginB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-09-21 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9282 |
Spacegroup name | P 32 |
Unit cell lengths | 102.306, 102.306, 144.329 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.210 - 2.700 |
R-factor | 0.2067 |
Rwork | 0.205 |
R-free | 0.23070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1VCB and 2OUO |
RMSD bond length | 0.007 |
RMSD bond angle | 1.144 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER (2.5.6) |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.210 | 48.210 | 2.790 |
High resolution limit [Å] | 2.700 | 10.460 | 2.700 |
Rmerge | 0.079 | 0.020 | 0.660 |
Number of reflections | 46323 | ||
<I/σ(I)> | 14.7 | 2.1 | |
Completeness [%] | 99.7 | 97.9 | 99.3 |
Redundancy | 4.2 | 4.1 | 3.7 |
CC(1/2) | 0.998 | 1.000 | 0.571 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 293 | PEG 8000, Sodium citrate |