2NTP
Crystal structure of pectin methylesterase in complex with hexasaccharide VI
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX10.1 |
Synchrotron site | SRS |
Beamline | PX10.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-02-05 |
Detector | MAR CCD 225 mm |
Wavelength(s) | 0.90000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.091, 85.000, 97.325 |
Unit cell angles | 90.00, 93.56, 90.00 |
Refinement procedure
Resolution | 36.320 - 1.700 |
R-factor | 0.18572 |
Rwork | 0.184 |
R-free | 0.21665 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1qjv |
RMSD bond length | 0.007 |
RMSD bond angle | 1.003 |
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] | 36.320 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.065 | 0.282 |
Number of reflections | 91245 | |
<I/σ(I)> | 15 | 4.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 3.8 | 3.8 |
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 |