7PRI
Carbonic Anhydrase from Schistosoma Mansoni in complex with clorsulon
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) | 0.971900 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 103.800, 103.800, 132.900 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 89.893 - 1.679 |
| Rwork | 0.167 |
| R-free | 0.19510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6qqm |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.832 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 89.900 | 1.720 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.096 | 1.180 |
| Rmeas | 0.099 | 1.000 |
| Number of reflections | 94460 | 6740 |
| <I/σ(I)> | 27.43 | |
| Completeness [%] | 99.7 | 97.2 |
| Redundancy | 17.26 | 8.93 |
| CC(1/2) | 1.000 | 0.706 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 20% PEG 6000, 0.1 M citrate pH 5.0 |
