3KNE
Carbonic Anhydrase II H64C mutant in complex with an in situ formed triazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2009-11-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.400, 41.500, 72.000 |
| Unit cell angles | 90.00, 104.30, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.350 |
| R-factor | 0.1279 |
| R-free | 0.18340 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.028 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Number of reflections | 52457 | |
| <I/σ(I)> | 13.8 | 2.8 |
| Completeness [%] | 98.2 | 93.1 |
| Redundancy | 3 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.8 | 291 | 2.5M ammonium sulfate, 50mM TRIS, 0.1mM p-chloromercuricbenzoic acid,500 M alkyne, 500 M azide, 500 M DTT, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
