7Z6G
X-ray structure of the adduct obtained upon reaction of [Rh2(OCOCH3)(OCOCF3)3] with RNase A (2)
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 | 100.570, 32.570, 72.510 |
Unit cell angles | 90.00, 90.46, 90.00 |
Refinement procedure
Resolution | 30.990 - 1.710 |
Rwork | 0.183 |
R-free | 0.23560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jvt |
RMSD bond length | 0.011 |
RMSD bond angle | 2.220 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.990 | 1.740 |
High resolution limit [Å] | 1.710 | 1.710 |
Rmerge | 0.079 | 0.795 |
Rpim | 0.052 | 0.521 |
Number of reflections | 25642 | 1242 |
<I/σ(I)> | 12.5 | 2.2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.3 | 6.2 |
CC(1/2) | 0.997 | 0.782 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 298 | 0.01 M sodium cintrate buffer pH 5.1 22% PEG4K |