7P8P
Crystal structure of Fhit covalently bound to a nucleotide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-09-24 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.999871 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.422, 61.736, 198.009 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.330 - 2.340 |
R-factor | 0.197 |
Rwork | 0.193 |
R-free | 0.24570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fit |
RMSD bond length | 0.006 |
RMSD bond angle | 0.881 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19_4085) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.330 | 2.348 |
High resolution limit [Å] | 2.336 | 2.336 |
Rmeas | 0.218 | 1.622 |
Number of reflections | 45307 | 3173 |
<I/σ(I)> | 6.93 | |
Completeness [%] | 86.0 | |
Redundancy | 5.69 | |
CC(1/2) | 0.989 | 0.317 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | Morpheus condition G8: 0.1 M Carboxylic acids, 0.1 M Buffer System 2, 37.5 % v/v Precipitant Mix 4 |