3PXA
Impact of BRCA1 BRCT domain missense substitutions on phospho-peptide recognition: G1656D
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 | 2009-11-11 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97949 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 114.870, 114.870, 122.110 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.672 - 2.550 |
R-factor | 0.2388 |
Rwork | 0.238 |
R-free | 0.26110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1n5o |
RMSD bond length | 0.008 |
RMSD bond angle | 1.172 |
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 | 2.600 |
High resolution limit [Å] | 2.550 | 4.000 | 2.550 |
Number of reflections | 15761 | ||
<I/σ(I)> | 18.4 | ||
Completeness [%] | 98.1 | 91.8 | 99.4 |
Redundancy | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1.0M Li2SO4 100mM Tris 5mM CaCl2 10mM NiCl2 , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |