8IZJ
Crystal structure of Escherichia coli Adenine Phosphoribosyltransferase (APRT) in complex with AMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-16 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.8731 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.752, 86.942, 48.664 |
| Unit cell angles | 90.00, 110.48, 90.00 |
Refinement procedure
| Resolution | 45.590 - 1.600 |
| R-factor | 0.16625 |
| Rwork | 0.165 |
| R-free | 0.19208 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.725 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.590 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.088 | 0.612 |
| Rmeas | 0.097 | 0.675 |
| Rpim | 0.041 | 0.281 |
| Number of reflections | 42857 | 2114 |
| <I/σ(I)> | 10.8 | |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5.7 | 5.6 |
| CC(1/2) | 0.990 | 0.871 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 297 | 100 MM TRIS-HCL PH 8.0, 20 % PEG 4000, 0.2 M MGCL2 |
