6XHE
Structure of beta-prolinyl 5'-O-adenosine phosphoramidate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-07-10 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 101.002, 32.795, 74.090 |
Unit cell angles | 90.00, 90.33, 90.00 |
Refinement procedure
Resolution | 29.810 - 1.880 |
R-factor | 0.20769 |
Rwork | 0.205 |
R-free | 0.26463 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Single RNase molecule from PDB-ID |
RMSD bond length | 0.007 |
RMSD bond angle | 1.578 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.810 | 1.970 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.094 | 0.951 |
Number of reflections | 19587 | 1765 |
<I/σ(I)> | 24.93 | |
Completeness [%] | 98.2 | 89.5 |
Redundancy | 7.1 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | PROTEIN WAS CRYSTALLIZED FROM 25% PEG 3350, 20 MM SODIUM CITRATE, PH 5.5, Glycinyl-5'-O-adenosine phosphoramidate soaking was achieved as follows. 1 uL of a stock solution of 50 mM ligand was added to 2uL of reservoir solution, to achieve a concentration of ~25 mM in the soaking solution. A few RNase A crystals were soaked for 45 - 90 minutes in the soaking solution |