2CJ8
Crystal Structure of a Cell Wall Invertase Inhibitor from Tobacco (pH 9.5)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-02-26 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.050, 50.220, 131.380 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.210 - 2.380 |
| R-factor | 0.202 |
| Rwork | 0.198 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rj1 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.542 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.210 | 2.580 |
| High resolution limit [Å] | 2.380 | 2.380 |
| Rmerge | 0.120 | 0.450 |
| Number of reflections | 11192 | |
| <I/σ(I)> | 13.6 | 4.4 |
| Completeness [%] | 100.0 | 99.7 |
| Redundancy | 7.1 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9.5 | 18 % PEG 4000, 0.1 M TRICINE PH 9.5, 0.2 M NAI |
