7QNV
human carbonic anhydrase II bound to 3-methylbenzoselenoate
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 | 2021-11-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.971700 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.430, 41.420, 72.130 |
| Unit cell angles | 90.00, 104.42, 90.00 |
Refinement procedure
| Resolution | 69.858 - 1.278 |
| Rwork | 0.164 |
| R-free | 0.18390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fik |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.944 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.858 | 1.310 |
| High resolution limit [Å] | 1.278 | 1.278 |
| Rmerge | 0.120 | 0.635 |
| Rmeas | 0.130 | 0.776 |
| Number of reflections | 55632 | 1877 |
| <I/σ(I)> | 10.62 | 2.32 |
| Completeness [%] | 88.2 | 40.5 |
| Redundancy | 5.6 | 2.95 |
| CC(1/2) | 0.991 | 0.651 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 1.5 M sodium citrate, 0.1 M Tris pH 8.0 |
