5VJN
Crystal Structure of Adenine Phosphoribosyltransferase from Saccharomyces cerevisiae Complexed with D-2,5-Dideoxy-2,5-Imino-Altritol 1,6-Bisphosphate (D-DIAB) and Adenine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-02-09 |
| Detector | RAYONIX MX-225HE |
| Wavelength(s) | 0.97931 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 138.630, 49.800, 96.580 |
| Unit cell angles | 90.00, 131.04, 90.00 |
Refinement procedure
| Resolution | 72.850 - 1.780 |
| R-factor | 0.24678 |
| Rwork | 0.246 |
| R-free | 0.26647 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g2q |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.209 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.850 | 1.820 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.110 | |
| Number of reflections | 46756 | 8584 |
| <I/σ(I)> | 6.9 | 1.9 |
| Completeness [%] | 97.9 | 98.1 |
| Redundancy | 3.3 | 3.3 |
| CC(1/2) | 0.990 | 0.530 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 100 mM sodium citrate, pH 5.6, 0.2 M ammonium sulfate, 25% PEG4000 |
