6XWZ
Carbonic Anhydrase II-mediated hydrolysis of selenolester
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 | 2019-07-16 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.336, 41.311, 72.457 |
| Unit cell angles | 90.00, 104.26, 90.00 |
Refinement procedure
| Resolution | 41.065 - 1.380 |
| Rwork | 0.180 |
| R-free | 0.20420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fik |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.832 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.310 | 1.400 |
| High resolution limit [Å] | 1.380 | 1.380 |
| Number of reflections | 50482 | 2342 |
| <I/σ(I)> | 11.1 | |
| Completeness [%] | 99.8 | |
| Redundancy | 31 | |
| CC(1/2) | 0.890 | 0.820 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 296 | solution of 1.5-1.7 M sodium citrate, 0.1 M Tris pH 8.0 |
