3K16
Crystal Structure of BRCA1 BRCT D1840T in complex with a minimal recognition tetrapeptide with a free carboxy C-terminus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-07-15 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 114.337, 114.337, 123.867 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.660 - 3.000 |
| R-factor | 0.227 |
| Rwork | 0.224 |
| R-free | 0.28800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.064 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.660 | 50.000 | 3.060 |
| High resolution limit [Å] | 2.950 | 6.350 | 2.950 |
| Rmerge | 0.084 | 0.043 | 0.675 |
| Number of reflections | 10632 | ||
| <I/σ(I)> | 10.1 | ||
| Completeness [%] | 99.6 | 99.5 | 96.1 |
| Redundancy | 19.7 | 18.9 | 10.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 298 | Li2SO4, Tris-HCl, NiCl2, pH 8.5, VAPOR DIFFUSION, temperature 298K |
