9GFX
Huma Carbonic anhydrase II in complex with trans-2-phenylvinylboronic 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 | 2022-02-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.476, 41.524, 72.565 |
| Unit cell angles | 90.00, 104.39, 90.00 |
Refinement procedure
| Resolution | 41.180 - 1.350 |
| R-factor | 0.12648 |
| Rwork | 0.126 |
| R-free | 0.14802 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.010 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.104 | 0.605 |
| Rmeas | 0.114 | 0.661 |
| Rpim | 0.044 | 0.262 |
| Number of reflections | 54273 | 2703 |
| <I/σ(I)> | 14.8 | 3.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.2 | 6 |
| CC(1/2) | 0.996 | 0.803 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 1.3 M SODIUM CITRATE, 0.1 M TRIS-HCL |
