6TAL
3C-like protease from Southampton virus complexed with FMOPL000227a.
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 | 2016-12-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.92819 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 62.760, 90.064, 60.777 |
Unit cell angles | 90.00, 96.23, 90.00 |
Refinement procedure
Resolution | 51.340 - 1.510 |
R-factor | 0.1472 |
Rwork | 0.143 |
R-free | 0.21660 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6t1q |
RMSD bond length | 0.013 |
RMSD bond angle | 1.800 |
Data reduction software | DIALS |
Data scaling software | Aimless (0.5.29) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 51.340 | 51.240 | 1.550 |
High resolution limit [Å] | 1.510 | 6.750 | 1.510 |
Rmerge | 0.058 | 0.021 | 0.680 |
Rmeas | 0.069 | 0.025 | 0.869 |
Rpim | 0.038 | 0.013 | 0.533 |
Number of reflections | 52139 | 611 | 3788 |
<I/σ(I)> | 9.3 | 31.8 | 1.3 |
Completeness [%] | 99.3 | 99.7 | 98.4 |
Redundancy | 3.1 | 3.3 | 2.5 |
CC(1/2) | 0.999 | 0.999 | 0.641 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.1 | 294 | Protein concentration 4 mg/ml. 0.2 M ammonium citrate and 12% (v/v) PEG3350. |