7SMG
Crystal structure of a (p)ppApp hydrolase from Bacteroides caccae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-10-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97859 |
| Spacegroup name | P 61 |
| Unit cell lengths | 144.136, 144.136, 63.485 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.640 - 2.300 |
| R-factor | 0.203 |
| Rwork | 0.201 |
| R-free | 0.23450 |
| Structure solution method | SAD |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.503 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.134 | 1.390 |
| Number of reflections | 33605 | 1567 |
| <I/σ(I)> | 24.8 | 1 |
| Completeness [%] | 99.5 | 92.7 |
| Redundancy | 14 | 6.8 |
| CC(1/2) | 0.999 | 0.448 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 295 | 0.8 M Lithium chloride, 0.1 M Tris:HCl pH 8.5, 32% (w/v) PEG 4000 |
