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. |