9C99
Crystal structure of AprG complexed with a two-carbon amino sugar fragment (acetamidoacetaldehyde)
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 | 2023-10-09 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 69.689, 76.800, 179.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.000 - 1.950 |
| R-factor | 0.1673 |
| Rwork | 0.167 |
| R-free | 0.19100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.924 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.18rc3_3805) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 89.550 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.175 | 1.030 |
| Rmeas | 0.200 | 1.180 |
| Rpim | 0.094 | 0.562 |
| Total number of observations | 289466 | 19627 |
| Number of reflections | 67042 | 4591 |
| <I/σ(I)> | 6.3 | 1.6 |
| Completeness [%] | 95.0 | |
| Redundancy | 4.3 | 4.3 |
| CC(1/2) | 0.985 | 0.510 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.2M Magnesium Acetate, 0.1M Sodium Cacodylate pH 6.5, 18% PEG 8000 |
