7QOB
Human Carbonic Anhydrase I in complex with benzoselenoate
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 | 2019-07-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.080, 70.640, 121.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.033 - 1.800 |
| Rwork | 0.205 |
| R-free | 0.24310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jv0 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.700 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.540 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.135 | |
| Rmeas | 0.147 | |
| Rpim | 0.061 | |
| Number of reflections | 50254 | 2944 |
| <I/σ(I)> | 8.8 | |
| Completeness [%] | 99.8 | 99.2 |
| Redundancy | 10.6 | 10 |
| CC(1/2) | 0.780 | 0.798 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 28-31% PEG4000, 0.2 M Sodium acetate, 0.1 M Tris pH 8.5-9.0 |
