9C9B
Crystal structure of AprG complexed with an epimer of the octose product
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-01-24 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.520, 76.720, 123.340 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.670 - 1.450 |
| R-factor | 0.1674 |
| Rwork | 0.167 |
| R-free | 0.19280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.804 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.18rc3_3805: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.670 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.055 | 0.735 |
| Rmeas | 0.060 | 0.884 |
| Rpim | 0.024 | 0.482 |
| Total number of observations | 685190 | 17304 |
| Number of reflections | 115600 | 5635 |
| <I/σ(I)> | 15.8 | 1.6 |
| Completeness [%] | 100.0 | |
| Redundancy | 5.9 | 3.1 |
| CC(1/2) | 0.999 | 0.621 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.2M Calcium Acetate, 0.1M Sodium Cacodylate, 18% PEG 8000 |
