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 |