9F2E
Carbonic anhydrase II variant with bound iron complex in space group C2 (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 | 2023-05-06 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.99998 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 85.392, 47.200, 71.092 |
| Unit cell angles | 90.00, 113.68, 90.00 |
Refinement procedure
| Resolution | 41.722 - 2.015 |
| R-factor | 0.1826 |
| Rwork | 0.180 |
| R-free | 0.22450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.138 |
| 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] | 41.722 | 2.090 |
| High resolution limit [Å] | 2.015 | 2.015 |
| Rmerge | 0.146 | 1.340 |
| Number of reflections | 17306 | 1683 |
| <I/σ(I)> | 9.5 | 1.3 |
| Completeness [%] | 99.8 | 98.2 |
| Redundancy | 6.9 | |
| CC(1/2) | 0.997 | 0.510 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M Sodium acetate trihydrate, 0.1M Bis-Tris5.5, 25% w/v PEG 3350 |
