2NT9
Crystal structure of pectin methylesterase D178A mutant in complex with hexasaccharide IV
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-05-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.402, 85.750, 97.642 |
| Unit cell angles | 90.00, 93.31, 90.00 |
Refinement procedure
| Resolution | 44.370 - 1.900 |
| R-factor | 0.18712 |
| Rwork | 0.186 |
| R-free | 0.20990 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1qjv |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.074 |
| 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] | 64.150 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.103 | 0.339 |
| Number of reflections | 59470 | |
| <I/σ(I)> | 9.1 | 3.5 |
| Completeness [%] | 90.1 | 93.4 |
| Redundancy | 2.2 | 2.2 |
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 |
