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 |