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 |