9QPX
BRCA1 BRCT tandem repeat with RNA polymerase II pSer5-CTD peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-06 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9760 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 112.827, 134.762, 180.381 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.370 - 3.000 |
| Rwork | 0.255 |
| R-free | 0.31200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.257 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.370 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.289 | 3.230 |
| Rmeas | 0.300 | 3.351 |
| Rpim | 0.081 | 0.885 |
| Number of reflections | 27850 | 4024 |
| <I/σ(I)> | 7.2 | 1 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 13.7 | 14.1 |
| CC(1/2) | 0.996 | 0.505 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 0.1M PCB buffer (sodium propionate, sodium cacodylate, BIS-TRIS propane in the molar ratios 2:1:2) pH 6, 25%PEG 1500 |
