7Z6L
Crystal structure of PROTAC 5 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-18 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.308, 86.808, 59.261 |
Unit cell angles | 90.00, 98.90, 90.00 |
Refinement procedure
Resolution | 48.540 - 2.240 |
R-factor | 0.191 |
Rwork | 0.189 |
R-free | 0.23200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5t35 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.070 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.540 | 48.540 | 2.380 |
High resolution limit [Å] | 2.240 | 6.680 | 2.240 |
Rmerge | 0.123 | 0.068 | 0.811 |
Rmeas | 0.134 | 0.074 | 0.890 |
Total number of observations | 146056 | ||
Number of reflections | 22540 | 885 | 3536 |
<I/σ(I)> | 10.41 | 25.58 | 2.15 |
Completeness [%] | 99.3 | 99.1 | 96.7 |
Redundancy | 6.48 | 6.049 | 6.112 |
CC(1/2) | 0.996 | 0.996 | 0.713 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 33% (v/v) glycerol ethoxylate, 0.2 M ammonium chloride, 0.1 M HEPES, pH 7.5 |