3F7B
Crystal Structure of soluble domain of CA4 in complex with small molecule.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 95 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-02-21 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 125.910, 128.556, 46.365 |
| Unit cell angles | 90.00, 99.88, 90.00 |
Refinement procedure
| Resolution | 19.680 - 2.050 |
| R-factor | 0.19368 |
| Rwork | 0.191 |
| R-free | 0.25197 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1znc |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.072 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.4.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.680 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.059 | 0.323 |
| Number of reflections | 41673 | |
| <I/σ(I)> | 18.6 | 2.38 |
| Completeness [%] | 91.7 | 94.6 |
| Redundancy | 2.56 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 286 | 20% PEG 3350, 0.1M Na Acetate, 0.32M Ammonium sulfate , pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 286K |
