8BZZ
Crystal structure of carbonic anhydrase 2 4-(dimethylamino)-N-nitrobenzenesulfonamide
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 | 2021-12-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.380, 41.500, 72.160 |
| Unit cell angles | 90.00, 104.39, 90.00 |
Refinement procedure
| Resolution | 69.890 - 1.070 |
| Rwork | 0.130 |
| R-free | 0.15400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.258 |
| 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] | 69.890 | 1.100 |
| High resolution limit [Å] | 1.070 | 1.070 |
| Rmerge | 0.048 | 0.591 |
| Rmeas | 0.053 | 0.667 |
| Number of reflections | 106121 | 7516 |
| <I/σ(I)> | 17.05 | 2.46 |
| Completeness [%] | 98.6 | 94.4 |
| Redundancy | 5.47 | 4.25 |
| CC(1/2) | 0.999 | 0.769 |
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 |
