3UW0
Pectin methylesterase from Yersinia enterocolitica
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-14 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 43 3 2 |
| Unit cell lengths | 170.640, 170.640, 170.640 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.147 - 3.500 |
| R-factor | 0.19762 |
| Rwork | 0.195 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qjv |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.924 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (6.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.147 | 3.690 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Rmerge | 0.170 | 0.600 |
| Number of reflections | 10653 | |
| <I/σ(I)> | 21.2 | 5.9 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 24.7 | 21.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 4.0 M sodium formate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
