8OTP
Crystal structure of human carbonic anhydrase II with 1-cyclopropyl-6-fluoro-4-oxo-7-(4-(4-sulfamoylbenzoyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic 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 | 2021-03-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.310, 41.530, 72.340 |
| Unit cell angles | 90.00, 104.34, 90.00 |
Refinement procedure
| Resolution | 41.020 - 1.400 |
| Rwork | 0.124 |
| R-free | 0.17700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.863 |
| 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] | 41.020 | 1.430 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.074 | 0.504 |
| Rmeas | 0.081 | 0.614 |
| Number of reflections | 41288 | 1311 |
| <I/σ(I)> | 16.51 | 2.24 |
| Completeness [%] | 84.9 | 36.5 |
| Redundancy | 5.72 | 3.08 |
| CC(1/2) | 0.998 | 0.706 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 296 | 1.5 M sodium citrate, 0.1 M Tris pH 8.0 |
