7SCD
Ternary complex of fixed-arm Trx-3ost5 (I299E) with 8mer-1 octasaccharide substrate and co-factor product PAP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2020-07-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.840, 58.820, 153.110 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.500 - 2.900 |
| R-factor | 0.2104 |
| Rwork | 0.208 |
| R-free | 0.25240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bd9 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.138 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.950 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Number of reflections | 10461 | 464 |
| <I/σ(I)> | 5.92 | |
| Completeness [%] | 90.1 | 81.3 |
| Redundancy | 3.2 | 3.1 |
| CC(1/2) | 0.713 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2M ammonium tartrate, 20% (w/v) PEG3350 |
