2AR6
Pterocarpus angolensis Lectin (PAL) In Complex With The Pentasaccharide M592
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-06-01 |
Detector | MARRESEARCH |
Wavelength(s) | 0.812 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.714, 83.592, 122.367 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.800 |
R-factor | 0.177 |
Rwork | 0.176 |
R-free | 0.20080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1q8o |
RMSD bond length | 0.006 |
RMSD bond angle | 1.540 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.052 | 0.607 |
Number of reflections | 54417 | |
Completeness [%] | 98.8 | 94.9 |
Redundancy | 4 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 20% PEG8000, 200 mM calcium acetate, 100 mM sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |