5B6H
Crystal structure of an APRT from Yersinia pseudotuberculosis in complex with AMP.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-09-03 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.072 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 60.875, 78.554, 53.885 |
| Unit cell angles | 90.00, 116.56, 90.00 |
Refinement procedure
| Resolution | 48.200 - 1.900 |
| R-factor | 0.1881 |
| Rwork | 0.187 |
| R-free | 0.21210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mb6 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.306 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.200 | 40.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 5.150 | 1.900 |
| Rmerge | 0.061 | 0.043 | 0.812 |
| Number of reflections | 17719 | ||
| <I/σ(I)> | 12.8 | 3.21 | |
| Completeness [%] | 99.3 | 90.9 | 99.8 |
| Redundancy | 5.9 | 4.9 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 2.4M sodium malonate pH 7.0 these crystals were moved condition containing 25% PEG3350, 0.1M Tris-Hcl pH 8.5, 0.2M Sodium Acetate and soaked with 5mM AMP |
