2CJ7
Crystal Structure of a Cell Wall Invertase Inhibitor from Tobacco (pH 9.0)
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 | 2003-10-09 |
| Detector | ADSC CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 59.690, 107.430, 56.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.870 - 1.800 |
| R-factor | 0.187 |
| Rwork | 0.185 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rj1 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.498 |
| 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] | 38.870 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.110 | 0.720 |
| Number of reflections | 16850 | |
| <I/σ(I)> | 14.3 | 2.7 |
| Completeness [%] | 97.1 | 91.4 |
| Redundancy | 7.3 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9 | 18% PEG 4000, 0.1M BIS-TRIS PH 9.0, 0.2 M NAI |
