6FD5
Crystal Structure of Human APRT-Tyr105Phe variant in complex with Adenine, PRPP and Mg2+, 14 days post crystallization (with AMP and PPi products partially generated)
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 | 2015-09-03 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 |
| Unit cell lengths | 47.232, 47.750, 48.039 |
| Unit cell angles | 77.30, 61.71, 69.47 |
Refinement procedure
| Resolution | 44.620 - 1.550 |
| R-factor | 0.176 |
| Rwork | 0.175 |
| R-free | 0.20100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5HND |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.298 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.15) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.620 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.079 | 0.661 |
| Number of reflections | 48487 | |
| <I/σ(I)> | 8.7 | |
| Completeness [%] | 96.7 | 94.5 |
| Redundancy | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | NAOAC, PEG4000, GLYCEROL, TRIS, PH 8.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K |
