1EKJ
THE X-RAY CRYSTALLOGRAPHIC STRUCTURE OF BETA CARBONIC ANHYDRASE FROM THE C3 DICOT PISUM SATIVUM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS |
| Synchrotron site | APS |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-06-01 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 136.909, 143.318, 202.135 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.930 |
| R-factor | 0.229 |
| Rwork | 0.229 |
| R-free | 0.25000 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 22.900 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | CNS (0.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.067 | 0.277 |
| Total number of observations | 779081 * | |
| Number of reflections | 138484 | |
| <I/σ(I)> | 13 | |
| Completeness [%] | 93.2 | 78.5 |
| Redundancy | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 5 * | 4 * | 16% PEG 4000, 0.05 M DITHIOTHREITOL, 0.4 M AMMONIUM ACETATE, 0.1 M SODIUM CITRATE, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 16 (%) | |
| 2 | 1 | reservoir | ammonium acetate | 400 (mM) | |
| 3 | 1 | reservoir | dithiothreitol | 50 (mM) | |
| 4 | 1 | reservoir | sodium citrate | 100 (mM) |
