8UB0
Structure of Histidine-5'-O-adenosine phosphoramidate/RNase A
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-01-19 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.3418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.829, 32.807, 74.156 |
| Unit cell angles | 90.00, 90.18, 90.00 |
Refinement procedure
| Resolution | 19.850 - 2.000 |
| R-factor | 0.24519 |
| Rwork | 0.242 |
| R-free | 0.30090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.979 |
| Data reduction software | PROTEUM PLUS |
| Data scaling software | PROTEUM PLUS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.850 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.138 | 0.609 |
| Number of reflections | 16652 | 737 |
| <I/σ(I)> | 10.69 | 2.63 |
| Completeness [%] | 99.0 | 98.6 |
| Redundancy | 9.91 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 25% PEG 3350, 20 mM sodium citrate, pH 5.5, Histidyl-5'-O-adenosine phosphoramidate was soaked into the crystals using a stock solution of 100 mM, to achieve ~35 mM in the soaking solution |
