4IGK
Structure of human BRCA1 BRCT in complex with ATRIP peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 65.666, 50.309, 73.977 |
| Unit cell angles | 90.00, 116.03, 90.00 |
Refinement procedure
| Resolution | 27.510 - 1.750 |
| R-factor | 0.16147 |
| Rwork | 0.159 |
| R-free | 0.20414 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y98 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.982 |
| 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 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 43950 | |
| <I/σ(I)> | 18.22 | 7.5 |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 20% PEG3350, 0.2 M ammonium acetate, 8% glycerol, 0.1 M HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
