6SFU
Human Carbonic Anhydrase II in complex with a furan-containing benzenesulfonamide
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 | 2018-10-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.885 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.447, 41.620, 72.401 |
| Unit cell angles | 90.00, 104.56, 90.00 |
Refinement procedure
| Resolution | 29.240 - 1.040 |
| R-factor | 0.1261 |
| Rwork | 0.126 |
| R-free | 0.13830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ks3 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.932 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.620 | 1.100 |
| High resolution limit [Å] | 1.039 | 1.040 |
| Number of reflections | 117443 | 18662 |
| <I/σ(I)> | 14.18 | 3.12 |
| Completeness [%] | 99.6 | 98.4 |
| Redundancy | 7.02 | |
| CC(1/2) | 0.999 | 0.902 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 291 | Sodium citrate 1.4 M, TRIS 0.1 M, saturated with para-Chloromercuribenzoic acid |
