5ZC7
Crystal structure of APRT from Y. pseudotuberculosis with bound adenine (P63 space group).
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-29 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | P 63 |
| Unit cell lengths | 121.074, 121.074, 50.035 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.1618 |
| Rwork | 0.160 |
| R-free | 0.19190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mb6 |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.413 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.122 | 0.052 | 0.681 |
| Rmeas | 0.128 | 0.054 | 0.734 |
| Rpim | 0.039 | 0.016 | 0.264 |
| Total number of observations | 299633 | ||
| Number of reflections | 28327 | 1499 | 1332 |
| <I/σ(I)> | 6.3 | ||
| Completeness [%] | 99.5 | 99.7 | 96 |
| Redundancy | 10.6 | 11.6 | 6.7 |
| CC(1/2) | 0.998 | 0.750 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 30% PEG3350, 0.1M Tris-Hcl pH 8.5, 0.2M Sodium Acetate with 5mM adenine, 1mM Nickel Chloride and 5% ethylene glycol |
