3K15
Crystal Structure of BRCA1 BRCT D1840T in complex with a minimal recognition tetrapeptide with an amidated 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 | 2008-01-21 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 0.97934 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 114.569, 114.569, 123.186 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.500 - 2.800 |
R-factor | 0.252 |
Rwork | 0.250 |
R-free | 0.28000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.018 |
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] | 50.000 | 50.000 | 2.900 |
High resolution limit [Å] | 2.800 | 6.030 | 2.800 |
Rmerge | 0.064 | 0.026 | 0.571 |
Number of reflections | 12225 | ||
<I/σ(I)> | 10 | ||
Completeness [%] | 99.5 | 99.5 | 96.3 |
Redundancy | 19.5 | 19.2 | 9.1 |
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 |