6QFX
Human carbonic anhydrase II with bound IrCp* complex (cofactor 10) to generate an artificial transfer hydrogenase (ATHase)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| 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 | 42.348, 41.587, 72.471 |
| Unit cell angles | 90.00, 104.38, 90.00 |
Refinement procedure
| Resolution | 41.020 - 1.320 |
| R-factor | 0.1735 |
| Rwork | 0.172 |
| R-free | 0.19740 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.360 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.020 | 1.340 |
| High resolution limit [Å] | 1.320 | 1.320 |
| Rmerge | 0.074 | 1.069 |
| Number of reflections | 55708 | 3701 |
| <I/σ(I)> | 8.2 | 1.2 |
| Completeness [%] | 95.9 | 90.8 |
| Redundancy | 4.5 | 4.5 |
| CC(1/2) | 0.996 | 0.350 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.9 | 293 | 2.6 M ammonium sulfate, 50 mM Tris-H2SO4 |
