9RFO
Human carbonic anhydrase II complexed with 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)-N-(2-sulfam oylethyl)acetamide
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 | 2023-11-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.488, 41.947, 72.615 |
| Unit cell angles | 90.00, 104.66, 90.00 |
Refinement procedure
| Resolution | 41.950 - 1.750 |
| Rwork | 0.150 |
| R-free | 0.17910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.755 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.490 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.039 | 0.144 |
| Rmeas | 0.048 | 0.185 |
| Number of reflections | 23288 | 1242 |
| <I/σ(I)> | 25.6 | 7.5 |
| Completeness [%] | 92.3 | 91.2 |
| Redundancy | 5.4 | 3.9 |
| CC(1/2) | 0.999 | 0.971 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 296 | 1.5 M sodium citrate, 0.1 M Tris pH 8.0 |
