6I16
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 15
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-07-03 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97949 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.620, 87.300, 98.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.590 - 2.000 |
R-factor | 0.2043 |
Rwork | 0.203 |
R-free | 0.23950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6i10 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.727 |
Data reduction software | xia2 (0.5.582) |
Data scaling software | xia2 (0.5.582) |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.620 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.079 | 0.728 |
Rmeas | 0.087 | 0.805 |
Rpim | 0.036 | 0.338 |
Number of reflections | 35194 | |
<I/σ(I)> | 15.7 | 2.2 |
Completeness [%] | 98.1 | 96.7 |
Redundancy | 5.6 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 292 | 18-22% PEG 8000, 100-130 mM MgAc2, 100 mM citric acid pH 5.0 |