9MPL
BRD2-BD1 in complex with cyclic peptide 2.1C-W11A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-10-30 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 41 |
| Unit cell lengths | 77.992, 77.992, 57.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.310 - 3.110 |
| R-factor | 0.2134 |
| Rwork | 0.210 |
| R-free | 0.26780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.428 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.310 | 3.320 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.109 | 0.387 |
| Number of reflections | 6315 | 1109 |
| <I/σ(I)> | 7.3 | |
| Completeness [%] | 99.7 | 98.4 |
| Redundancy | 1.9 | 1.9 |
| CC(1/2) | 0.981 | 0.742 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M Lithium chloride, 0.1 M Sodium acetate pH 5.0, 20 % w/v PEG 6000 |
