4YZW
Crystal structure of AgPPO8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.583, 106.583, 92.110 |
| Unit cell angles | 90.00, 105.79, 90.00 |
Refinement procedure
| Resolution | 44.317 - 2.600 |
| R-factor | 0.191 |
| Rwork | 0.188 |
| R-free | 0.23260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hhs |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.778 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.470 | |
| Number of reflections | 43019 | |
| <I/σ(I)> | 8.933 | 1.8 |
| Completeness [%] | 99.0 | 97.3 |
| Redundancy | 5 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 296 | Lithium citrate tribasic tetrahydrate, PEG 3,350 |
