4IFI
Structure of human BRCA1 BRCT in complex with BAAT peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-28 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 65.220, 65.220, 91.356 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.540 - 2.200 |
| R-factor | 0.20021 |
| Rwork | 0.197 |
| R-free | 0.26063 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y98 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.701 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.073 | |
| Number of reflections | 11813 | |
| <I/σ(I)> | 3.3 | 3.3 |
| Completeness [%] | 99.0 | 99 |
| Redundancy | 9.2 | 8.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 293 | 30% PEG 6000, 1M LiCl. 0.1M Sodium Acetate , pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
