9F2F
Carbonic anhydrase II variant with bound iron complex in space group R3 (ArPase)
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 | 2023-04-14 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.00003 |
| Spacegroup name | H 3 |
| Unit cell lengths | 179.167, 179.167, 109.705 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.792 - 1.520 |
| R-factor | 0.1476 |
| Rwork | 0.146 |
| R-free | 0.16700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.483 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12rc1_2801: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.792 | 1.550 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rmerge | 0.132 | 2.010 |
| Rpim | 0.042 | 0.660 |
| Number of reflections | 202072 | 20121 |
| <I/σ(I)> | 13 | 1.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 21.1 | 20.4 |
| CC(1/2) | 0.999 | 0.717 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M Magnesium acetate tetrahydrate, 0.1M MOPS pH 7.5, 12% w/v PEG 8000 |
