6I11
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-02-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.620, 87.320, 97.970 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.550 - 1.670 |
R-factor | 0.2173 |
Rwork | 0.216 |
R-free | 0.24680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6i10 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.603 |
Data reduction software | xia2 (0.3.8.0) |
Data scaling software | xia2 (0.3.8.0) |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.550 | 1.710 |
High resolution limit [Å] | 1.670 | 1.670 |
Rmerge | 0.061 | 1.161 |
Rmeas | 0.074 | 1.389 |
Rpim | 0.030 | 0.547 |
Number of reflections | 60096 | |
<I/σ(I)> | 14.2 | 1.4 |
Completeness [%] | 98.4 | 100 |
Redundancy | 6.2 | 6.4 |
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 |