4KTB
The crystal structure of posible asymmetric diadenosine tetraphosphate (Ap(4)A) hydrolases from Jonesia denitrificans DSM 20603
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 | 2013-04-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97897 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.489, 69.809, 94.313 |
| Unit cell angles | 90.00, 90.04, 90.00 |
Refinement procedure
| Resolution | 47.839 - 1.936 |
| R-factor | 0.1784 |
| Rwork | 0.173 |
| R-free | 0.22380 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.178 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.101 | 0.623 |
| Number of reflections | 52824 | |
| <I/σ(I)> | 11.6 | 1.85 |
| Completeness [%] | 99.6 | 97.9 |
| Redundancy | 4.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 289 | 3.0M Sodium Chloride, 0.1M Tris:HCl, pH 8.5, temperature 289K |
