1UKG
Pterocarps angolensis lectin PAL in complex with methyl-alpha-mannose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7A |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2001-03-15 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.820, 83.670, 123.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.000 - 1.700 |
R-factor | 0.191 |
Rwork | 0.189 |
R-free | 0.21540 * |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.558 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.051 | 0.402 |
Total number of observations | 210120 * | |
Number of reflections | 64245 * | |
<I/σ(I)> | 19.2 | 3.81 |
Completeness [%] | 97.6 | 91.2 |
Redundancy | 3.27 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.45 * | 297 | Loris, R., (2003) J.BIOL.CHEM., 278, 16297. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | drop | sugar | 10 (mM) | |
3 | 1 | drop | Tris-HCl | 20 (mM) | pH7.45 |
4 | 1 | reservoir | calcium acetate | 200 (mM) | |
5 | 1 | reservoir | sodium cacodylate | 100 (mM) | pH6.5 |
6 | 1 | reservoir | PEG8000 | 20 (%(w/v)) |