6N91
Crystal Structure of Adenosine Deaminase from Vibrio cholerae Complexed 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 | 2018-06-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97895 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 134.906, 134.906, 136.144 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.914 - 2.050 |
| R-factor | 0.1549 |
| Rwork | 0.154 |
| R-free | 0.17440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6n9m |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.991 |
| 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 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.146 | 0.967 |
| Number of reflections | 89846 | 4470 |
| <I/σ(I)> | 19.1 | 2.18 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 7.9 | 7.5 |
| CC(1/2) | 0.773 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 1.2M NaH2PO4/0.8M K2HPO4; 0.1M CAPS pH 10.5; 0.2M Li2SO4 |
