9GO8
Structural characterization of malonate-binding site in human RNase2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-02-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.776, 52.734, 56.488 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.590 - 1.040 |
| R-factor | 0.1444 |
| Rwork | 0.143 |
| R-free | 0.16860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.921 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.590 | 1.077 |
| High resolution limit [Å] | 1.040 | 1.040 |
| Number of reflections | 53346 | 2286 |
| <I/σ(I)> | 2.54 | |
| Completeness [%] | 90.3 | 45.2 |
| Redundancy | 5.6 | 2.1 |
| CC(1/2) | 0.999 | 0.756 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.2 M Sodium malonate, pH 4.0, 20% w/v Polyethylene glycol 3,350 |
