3COJ
Crystal Structure of the BRCT Domains of Human BRCA1 in Complex with a Phosphorylated Peptide from Human Acetyl-CoA Carboxylase 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-21 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97905 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.330, 181.513, 194.643 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.890 - 3.210 |
| R-factor | 0.2597 |
| Rwork | 0.257 |
| R-free | 0.30750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jnx |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.162 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SnB (THEN SOLVE/RESOLVE) |
| Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.310 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.118 | 0.391 |
| Number of reflections | 42426 | |
| <I/σ(I)> | 7.7876 | 2.843 |
| Completeness [%] | 92.5 | 83.5 |
| Redundancy | 3.2 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 294 | 100 mM sodium acetate (pH 4.5), 25-27% (v/v) PEG400, and 200 mM calcium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
