1X8Z
Crystal structure of a pectin methylesterase inhibitor from Arabidopsis thaliana
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-11-10 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 60.770, 106.190, 186.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.060 - 2.860 |
| R-factor | 0.22 |
| Rwork | 0.218 |
| R-free | 0.28000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | p(ALA) version of PDB entry 1RJ1 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | XDS (V. DEC. 2003) |
| Data scaling software | XDS (Version Dec. 2003) |
| Phasing software | EPMR |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.060 | 3.040 |
| High resolution limit [Å] | 2.860 | 2.860 |
| Rmerge | 0.059 | 0.274 |
| Number of reflections | 14136 | |
| <I/σ(I)> | 16.91 | 5.4 |
| Completeness [%] | 98.4 | 98.1 |
| Redundancy | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | 10%(v/v) PEG 8000, 0.3M NaCl, 0.1M Na/K Pi, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
