4Y2G
Structure of BRCA1 BRCT domains in complex with Abraxas single phosphorylated peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-06-28 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 63.847, 63.847, 93.367 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.576 - 2.500 |
| R-factor | 0.2185 |
| Rwork | 0.215 |
| R-free | 0.25210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IT15 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.823 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.600 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.498 | |
| Number of reflections | 8000 | |
| <I/σ(I)> | 24 | 5.1 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 9.3 | 9.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | Lithium chloride, Tris, PEG 6000 |
