2CJ6
Crystal Structure of a Cell Wall Invertase Inhibitor from Tobacco (pH 7.5)
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 65 |
| Unit cell lengths | 93.830, 93.830, 36.630 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.930 - 2.000 |
| R-factor | 0.22 |
| Rwork | 0.217 |
| R-free | 0.27400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rj1 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.477 |
| 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] | 46.930 | 2.120 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.200 | 0.650 |
| Number of reflections | 12748 | |
| <I/σ(I)> | 7.8 | 2.5 |
| Completeness [%] | 99.7 | 98.5 |
| Redundancy | 4.9 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 18 % PEG 4000, 0.1 M BIS-TRIS PH 7.5, 0.2 M NAI |
