9GFW
HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH 4-methylphenyl-boronic acid at pH 7.4
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 | 2024-04-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.195, 41.443, 72.084 |
| Unit cell angles | 90.00, 104.43, 90.00 |
Refinement procedure
| Resolution | 40.900 - 1.070 |
| R-factor | 0.14187 |
| Rwork | 0.141 |
| R-free | 0.16216 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.042 |
| RMSD bond angle | 1.882 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC (5.8.0425) |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.090 |
| High resolution limit [Å] | 1.070 | 1.070 |
| Rmerge | 0.074 | 0.371 |
| Rmeas | 0.081 | 0.422 |
| Rpim | 0.032 | 0.199 |
| Number of reflections | 103340 | 4889 |
| <I/σ(I)> | 17.8 | 4.5 |
| Completeness [%] | 97.1 | 92.3 |
| Redundancy | 5.8 | 4.6 |
| CC(1/2) | 0.998 | 0.916 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | AMMONIUM SULPHATE 2.8 M, TRIS-HCL 50 MM, 4-HYDROXYMERCURYBENZOATE |
