8RS8
Crystal structure of BRCA1 BRCTs in complex with a RIF1 phosphopeptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-01-26 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.91800 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 36.840, 173.716, 74.522 |
Unit cell angles | 90.00, 89.05, 90.00 |
Refinement procedure
Resolution | 56.550 - 1.310 |
R-factor | 0.1428 |
Rwork | 0.141 |
R-free | 0.17870 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.008 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.550 | 1.357 |
High resolution limit [Å] | 1.310 | 1.310 |
Number of reflections | 219241 | 20958 |
<I/σ(I)> | 9.12 | |
Completeness [%] | 98.1 | |
Redundancy | 2.6 | |
CC(1/2) | 0.995 | 0.326 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 287 | 55.5 mM MES, 44.5 mM Imidazole, 120 mM Diethylene glycol, 120 mM Triethylene-glycol, 120 mM Tetraethylene glycol, 120 mM Pentaethylene glycol, 20% (v/v) Ethylene glycol, 10% (w/v) PEG 8000 |