2CJ5
Crystal Structure of a Cell Wall Invertase Inhibitor from Tobacco (pH 5.0)
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 | 2003-10-03 |
| Detector | ADSC CCD |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 131.840, 131.840, 47.590 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.940 - 1.840 |
| R-factor | 0.182 |
| Rwork | 0.180 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rj1 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.420 |
| 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] | 43.940 | 1.950 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.120 | 0.650 |
| Number of reflections | 21167 | |
| <I/σ(I)> | 15.4 | 3.1 |
| Completeness [%] | 97.1 | 83.1 |
| Redundancy | 10.1 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 19% PEG 4000, 0.1 M NAOAC PH 5.0, 0.2 M LI2SO4 |
