3M5T
Fragment tethered to Carbonic Anhydrase II H64C mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OTHER |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-03-08 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.800, 41.300, 72.100 |
| Unit cell angles | 90.00, 104.30, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.950 |
| R-factor | 0.176 |
| Rwork | 0.164 |
| R-free | 0.25000 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | in-house CAII-H64C structure |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.021 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 17724 | |
| <I/σ(I)> | 14.3 | 3.6 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 3.4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 291 | 2.5 M ammonium sulfate 50 mM Tris 0.5 mM DTT 1 mM Fragment, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
