9VLV
Crystal structure of bovine Adenosine Deaminase in complex with EHNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-07-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.96546 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 77.467, 77.467, 136.164 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.710 - 1.650 |
| R-factor | 0.28534 |
| Rwork | 0.283 |
| R-free | 0.32099 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2z7g |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.574 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.390 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 49390 | 2439 |
| <I/σ(I)> | 12 | 1.3 |
| Completeness [%] | 97.6 | |
| Redundancy | 7.3 | |
| CC(1/2) | 0.987 | 0.530 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 1.8 - 2.4 M ammonium sulfate, 1.0 - 3.5% MPD, 0.1 M MES pH 6.0 |
