2ING
X-ray Structure of the BRCA1 BRCT mutant M1775K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-09-20 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 114.340, 114.340, 119.878 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 3.600 |
| R-factor | 0.251 |
| Rwork | 0.247 |
| R-free | 0.30200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1n5o |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.635 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 50.000 | 3.730 |
| High resolution limit [Å] | 3.600 | 7.750 | 3.600 |
| Rmerge | 0.093 | 0.054 | 0.530 |
| Number of reflections | 5744 | ||
| <I/σ(I)> | 10.7 | ||
| Completeness [%] | 99.9 | 99.2 | 100 |
| Redundancy | 27.5 | 22.8 | 28.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 291 | 1.4M Ammonium sulfate, 20mM Cobalt chloride, 100mM 2-(N-Morpholino) ethanesulfonic acid, pH 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
