9H3H
Human Carbonic anhydrase II crystallization and structure determination at room temperature in the CrystalChip
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM07 |
| Synchrotron site | ESRF |
| Beamline | BM07 |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2024-07-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.750, 41.650, 72.850 |
| Unit cell angles | 90.00, 104.60, 90.00 |
Refinement procedure
| Resolution | 41.370 - 1.800 |
| R-factor | 0.1703 |
| Rwork | 0.168 |
| R-free | 0.21470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.092 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.277 | |
| Rmeas | 0.322 | |
| Number of reflections | 160567 | 11315 |
| <I/σ(I)> | 4.04 | 1.18 |
| Completeness [%] | 97.7 | 96.7 |
| Redundancy | 3.64 | 3.55 |
| CC(1/2) | 0.958 | 0.308 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | COUNTER-DIFFUSION | 7.8 | 293 | Protein crystallized by counter-diffusion in the CrystalChip, stock solution 35 mg/mL, in a reservoir containing 50 mM Tris, 1.6 M sodium citrate, at pH 7.8 |
