1RJ4
Structure of a Cell Wall Invertase Inhibitor from Tobacco in Complex with Cd2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-12-02 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.170, 95.639, 126.191 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.670 - 2.000 |
| R-factor | 0.212 |
| Rwork | 0.212 |
| R-free | 0.25500 |
| Structure solution method | MIR |
| RMSD bond length | 0.014 |
| RMSD bond angle | 18.300 * |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.670 | 2.150 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.081 * | 0.258 * |
| Number of reflections | 49059 * | 9428 * |
| <I/σ(I)> | 16.09 | 7.72 |
| Completeness [%] | 100.0 * | 100 |
| Redundancy | 7.3 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | Hothorn, M., (2003) Acta Cryst., D59, 2279. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12 (mg/ml) | |
| 2 | 1 | reservoir | sodium formate | 4 (M) | |
| 3 | 1 | reservoir | Bis-Tris | 0.1 (M) | pH7. |
