2CJ4
Crystal Structure of a Cell Wall Invertase Inhibitor from Tobacco at pH 4.6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-04-06 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 131.350, 47.180, 57.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.650 - 1.630 |
| R-factor | 0.153 |
| Rwork | 0.151 |
| R-free | 0.18900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rj1 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.509 |
| 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] | 19.650 | 1.720 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.120 | 0.490 |
| Number of reflections | 43726 | |
| <I/σ(I)> | 11.7 | 3.1 |
| Completeness [%] | 95.7 | 81.5 |
| Redundancy | 7.3 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 17% PEG 4000, 0.1 M NAOAC PH 4.6, 0.2 M LI2SO4 |
