1RJ1
Crystal Structure of a Cell Wall Invertase Inhibitor from Tobacco
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-06-20 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9393 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 60.670, 106.400, 55.810 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.250 - 1.870 |
| R-factor | 0.194 |
| Rwork | 0.194 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 1RJ4 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 17.800 * |
| 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] | 19.250 | 1.990 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.057 | 0.127 |
| Number of reflections | 15167 * | 2455 * |
| <I/σ(I)> | 23.84 | 8.92 |
| Completeness [%] | 97.8 * | 88.2 * |
| Redundancy | 8.3 | 5.3 |
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. |
