6N8U
DRAFT model of Schistosoma japonicum Glutathione S-transferase expression tag
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-25 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 93.917, 102.772, 48.788 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.960 - 1.960 |
| R-factor | 0.2142 |
| Rwork | 0.212 |
| R-free | 0.25640 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.645 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.960 | 46.960 | 2.010 |
| High resolution limit [Å] | 1.960 | 8.980 | 1.960 |
| Rmerge | 0.111 | 0.052 | 1.239 |
| Rmeas | 0.121 | 0.056 | 1.343 |
| Rpim | 0.047 | 0.022 | 0.514 |
| Total number of observations | 227858 | 2536 | 15593 |
| Number of reflections | 34664 | 438 | 2328 |
| <I/σ(I)> | 11.2 | 37.4 | 1.3 |
| Completeness [%] | 99.9 | 99.3 | 98.9 |
| Redundancy | 6.6 | 5.8 | 6.7 |
| CC(1/2) | 0.998 | 0.999 | 0.534 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 25% PEG3350, 0.1M sodium acetate |
