2NST
Crystal structure of pectin methylesterase D178A mutant in complex with hexasaccharide II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX10.1 |
| Synchrotron site | SRS |
| Beamline | PX10.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-05 |
| Detector | MAR CCD 225 mm |
| Wavelength(s) | 0.90000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.012, 84.840, 97.163 |
| Unit cell angles | 90.00, 93.57, 90.00 |
Refinement procedure
| Resolution | 97.130 - 1.700 |
| R-factor | 0.20149 |
| Rwork | 0.200 |
| R-free | 0.23124 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1qjv |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.038 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC (5.2.0005) |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 97.130 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.093 | 0.379 |
| Number of reflections | 110223 | |
| <I/σ(I)> | 11.4 | 2.7 |
| Completeness [%] | 94.5 | 87.4 |
| Redundancy | 3.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.6 M Ammonium sulfate, 0.1 M MES pH 6.5, 10% v/v Dioxane, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
