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 |