6N9M
Crystal Structure of Adenosine Deaminase from Salmonella typhimurium with Pentostatin (Deoxycoformycin)
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 | PIXEL |
| Collection date | 2017-12-17 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.081, 73.232, 91.875 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.937 - 1.449 |
| R-factor | 0.1552 |
| Rwork | 0.154 |
| R-free | 0.16770 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.974 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((1.12_2829)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.480 |
| High resolution limit [Å] | 1.449 | 1.450 |
| Number of reflections | 50915 | 2471 |
| <I/σ(I)> | 23.7 | 2.4 |
| Completeness [%] | 99.3 | 99.4 |
| Redundancy | 5.8 | 4.5 |
| CC(1/2) | 0.715 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 20% PEG 3000, 0.1M Tris pH7.0, 0.2M Ca(OAc) |
