9FAI
Human carbonic anhydrase II complexed with 2-hydroselenobenzoic acid
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9717 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.390, 41.310, 72.610 |
| Unit cell angles | 90.00, 104.14, 90.00 |
Refinement procedure
| Resolution | 41.140 - 1.272 |
| Rwork | 0.113 |
| R-free | 0.15250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.024 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.140 | 1.310 |
| High resolution limit [Å] | 1.270 | 1.270 |
| Rmerge | 0.048 | 0.397 |
| Rmeas | 0.052 | 0.481 |
| Number of reflections | 55534 | 1705 |
| <I/σ(I)> | 18.75 | 2.2 |
| Completeness [%] | 86.6 | 36.4 |
| Redundancy | 5.64 | 3.03 |
| CC(1/2) | 0.999 | 0.809 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 1.5 M sodium citrate, 0.1 M Tris pH 8.0 |
