2NTB
Crystal structure of pectin methylesterase in complex with hexasaccharide V
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-14 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.93000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.094, 85.330, 97.803 |
| Unit cell angles | 90.00, 93.55, 90.00 |
Refinement procedure
| Resolution | 64.280 - 1.800 |
| R-factor | 0.20701 |
| Rwork | 0.205 |
| R-free | 0.24390 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1qjv |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.089 |
| 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] | 64.280 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.063 | 0.242 |
| Number of reflections | 77539 | |
| <I/σ(I)> | 16.8 | 5.5 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 3.7 | 3.7 |
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 |
