5GS9
Crystal structure of CASTOR1-arginine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2016-07-15 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9785 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 93.644, 83.564, 97.810 |
Unit cell angles | 90.00, 116.61, 90.00 |
Refinement procedure
Resolution | 50.010 - 2.500 |
R-factor | 0.1778 |
Rwork | 0.175 |
R-free | 0.22380 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.255 |
Data scaling software | HKL-3000 |
Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.010 | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 5.380 | 2.500 |
Rmerge | 0.085 | 0.043 | 0.495 |
Number of reflections | 47062 | ||
<I/σ(I)> | 4 | ||
Completeness [%] | 99.9 | 100 | 99.7 |
Redundancy | 6.7 | 6.6 | 6.2 |
CC(1/2) | 0.999 | 0.872 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 289 | 0.1M sodium citrate (pH 5.0), 20% (w/v) PEG 8000 |