1X90
Crystal structure of mutant form B of a pectin methylesterase inhibitor from Arabidopsis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-03-23 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.81 |
| Spacegroup name | H 3 |
| Unit cell lengths | 82.410, 82.410, 105.410 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.460 - 2.680 |
| R-factor | 0.215 |
| Rwork | 0.215 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1X8Z CHAIN A |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.400 |
| Data reduction software | XDS (V. DEC. 2003) |
| Data scaling software | XDS (Version Dec. 2003) |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.460 | 2.850 |
| High resolution limit [Å] | 2.680 | 2.680 |
| Rmerge | 0.061 | 0.220 |
| Number of reflections | 7391 | |
| <I/σ(I)> | 19.8 | 6.56 |
| Completeness [%] | 98.5 | 93.3 |
| Redundancy | 5.14 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 2.5M (NH4)2SO4, 4%(v/v) isopropanol, pH 0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
