7QPW
X-ray structure of the adduct obtained upon reaction of [cis-Rh2(OCOCH3)2(OCOCF3)2] with RNase A (1)
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.500, 32.910, 73.060 |
| Unit cell angles | 90.00, 90.16, 90.00 |
Refinement procedure
| Resolution | 73.060 - 1.150 |
| Rwork | 0.136 |
| R-free | 0.16540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jvt |
| RMSD bond length | 0.018 |
| RMSD bond angle | 3.404 |
| Data reduction software | AutoProcess |
| Data scaling software | AutoProcess |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.060 | 1.170 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.078 | 0.699 |
| Rpim | 0.051 | 0.479 |
| Number of reflections | 84723 | 4212 |
| <I/σ(I)> | 10.3 | 2.2 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 6.1 | 5.4 |
| CC(1/2) | 0.997 | 0.738 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 298 | 22 % PEG 4K 0.01 M sodium citrate pH 5.1 |
