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 |