3RLD
Crystal structure of the Y7I mutant of human carbonic anhydrase II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-11-05 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.789, 41.598, 73.195 |
| Unit cell angles | 90.00, 104.83, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.500 |
| R-factor | 0.166 |
| Rwork | 0.166 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ili |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 3.230 | 1.500 |
| Rmerge | 0.099 | 0.061 | 0.417 |
| Number of reflections | 36906 | ||
| <I/σ(I)> | 10.4 | ||
| Completeness [%] | 96.9 | 99.2 | 90.4 |
| Redundancy | 3.1 | 3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 1.7 M sodium citrate, 100 mM Tris, droplet is 1:1 mixture of the protein and reservoir, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
