3PXD
Impact of BRCA1 BRCT domain missense substitutions on phospho-peptide recognition: R1835P
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 | CCD |
| Collection date | 2010-03-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 114.950, 114.950, 121.940 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 2.800 |
| R-factor | 0.2357 |
| Rwork | 0.233 |
| R-free | 0.28130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1n5o |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.118 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6.3_473)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 4.000 | 2.800 |
| Number of reflections | 11935 | ||
| <I/σ(I)> | 13.96 | ||
| Completeness [%] | 97.5 | 95.8 | 97.6 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.8M Li2SO4 100 mM Tris 5mM CaCl2 10mM NiCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
