7ONP
Wild type carbonic anhydrase II with bound IrCp* complex to generate an artificial transfer hydrogenase (ATHase)
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-31 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.263, 41.542, 71.972 |
| Unit cell angles | 90.00, 104.39, 90.00 |
Refinement procedure
| Resolution | 40.937 - 1.408 |
| Rwork | 0.157 |
| R-free | 0.18210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6qfu |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.205 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.940 | 1.430 |
| High resolution limit [Å] | 1.408 | 1.410 |
| Rmerge | 0.064 | 0.238 |
| Number of reflections | 46067 | 2108 |
| <I/σ(I)> | 6.1 | 1.2 |
| Completeness [%] | 98.1 | 92.5 |
| Redundancy | 2 | 2 |
| CC(1/2) | 0.997 | 0.523 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.9 | 293 | 2.6 M (NH4)2SO4, 50 mM Tris-H2SO4, pH 7.9 |
