7Y94
Crystal structure of Escherichia coli Adenine Phosphoribosyltransferase (APRT) in complex with Adenine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-01-21 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.8856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.656, 87.073, 47.830 |
| Unit cell angles | 90.00, 111.20, 90.00 |
Refinement procedure
| Resolution | 41.630 - 1.500 |
| R-factor | 0.17205 |
| Rwork | 0.171 |
| R-free | 0.19326 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dy0 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.756 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.630 | 1.524 |
| High resolution limit [Å] | 1.498 | 1.498 |
| Rmerge | 0.070 | 0.727 |
| Rmeas | 0.078 | 0.805 |
| Rpim | 0.034 | 0.342 |
| Number of reflections | 54573 | 2710 |
| <I/σ(I)> | 12.1 | 2.2 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5.2 | 5.4 |
| CC(1/2) | 0.990 | 0.812 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 100 mM Tris-HCl pH 8.0, 20 % PEG 4000, 0.2 M MgCl2 |
