2NSP
Crystal structure of pectin methylesterase D178A mutant in complex with hexasaccharide I
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-10 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.93000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.110, 85.103, 97.281 |
| Unit cell angles | 90.00, 93.48, 90.00 |
Refinement procedure
| Resolution | 97.130 - 1.700 |
| R-factor | 0.1893 |
| Rwork | 0.189 |
| R-free | 0.20389 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1qjv |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.994 |
| 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 | 0.075 | 0.151 |
| Number of reflections | 91132 | |
| <I/σ(I)> | 16.3 | 7.6 |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | Ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
