7ZWB
human Carbonic Anhydrase II in complex with 4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)benzenesulfonamide
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-16 |
| Detector | PSI JUNGFRAU 4M |
| Wavelength(s) | 1.0399 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.527, 41.257, 72.111 |
| Unit cell angles | 90.00, 104.61, 90.00 |
Refinement procedure
| Resolution | 29.136 - 1.480 |
| Rwork | 0.201 |
| R-free | 0.22710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fik |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.698 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.136 | 1.580 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.132 | 0.661 |
| Rmeas | 0.167 | 0.835 |
| Number of reflections | 38457 | 6720 |
| <I/σ(I)> | 4.27 | 1.02 |
| Completeness [%] | 94.6 | 93.6 |
| Redundancy | 2.55 | 2.45 |
| CC(1/2) | 0.976 | 0.568 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 1.5 M sodium citrate, 0.1 M Tris pH 8.0 |
