2NTQ
Crystal structure of pectin methylesterase in complex with hexasaccharide VII
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 | 51.193, 85.018, 97.514 |
Unit cell angles | 90.00, 93.43, 90.00 |
Refinement procedure
Resolution | 97.130 - 1.800 |
R-factor | 0.18124 |
Rwork | 0.180 |
R-free | 0.21127 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1qjv |
RMSD bond length | 0.008 |
RMSD bond angle | 1.028 |
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] | 97.130 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.110 | 0.384 |
Number of reflections | 77283 | |
<I/σ(I)> | 16.2 | 5.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.3 | 7.4 |
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 |