5JML
X-ray structure of the complex between bovine pancreatic ribonuclease and penthachlorocarbonyliridate(III) (2 months of soaking)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-06-16 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.592, 32.388, 72.595 |
| Unit cell angles | 90.00, 89.97, 90.00 |
Refinement procedure
| Resolution | 72.590 - 2.290 |
| R-factor | 0.22874 |
| Rwork | 0.226 |
| R-free | 0.29370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jvt |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.457 |
| Data reduction software | CrystalClear |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.590 | 2.340 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.139 | 0.557 |
| Number of reflections | 10756 | |
| <I/σ(I)> | 1.72 | 2 |
| Completeness [%] | 96.5 | 97.8 |
| Redundancy | 2.4 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 293 | 22% PEG4K, 10 mM soium citrate pH 5.1 |
