5VJP
Crystal Structure of Adenine Phosphoribosyltransferase from Saccharomyces cerevisiae Complexed with L-2,5-Dideoxy-2,5-Imino-Altritol 1,6-Bisphosphate (L-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 | 138.087, 49.219, 95.354 |
| Unit cell angles | 90.00, 130.55, 90.00 |
Refinement procedure
| Resolution | 72.450 - 1.980 |
| R-factor | 0.26295 |
| Rwork | 0.262 |
| R-free | 0.28079 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g2q |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.247 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.450 | 2.030 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.120 | |
| Number of reflections | 33741 | 2392 |
| <I/σ(I)> | 7.9 | 2 |
| Completeness [%] | 98.7 | 99.9 |
| Redundancy | 3.7 | 3.7 |
| CC(1/2) | 1.000 | 0.770 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 100 mM sodium acetate, 0.2 M ammonium sulfate, 22% PEG4000 |
