6SDL
Human Carbonic Anhydrase II in complex with (R)-N-(3-(1H-indol-1-yl)-2-methylpropyl)-4-sulfamoylbenzamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-17 |
| Detector | DECTRIS PILATUS3 S 2M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.323, 41.696, 72.103 |
| Unit cell angles | 90.00, 104.32, 90.00 |
Refinement procedure
| Resolution | 39.940 - 1.080 |
| R-factor | 0.1372 |
| Rwork | 0.136 |
| R-free | 0.15400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ks3 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.939 |
| 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] | 41.696 | 1.150 |
| High resolution limit [Å] | 1.080 | 1.080 |
| Number of reflections | 101798 | 15740 |
| <I/σ(I)> | 7.34 | 1.96 |
| Completeness [%] | 97.3 | |
| Redundancy | 3.71 | |
| CC(1/2) | 0.994 | 0.815 |
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 |
