1OUR
LecB (PA-LII) in complex with 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] | 100 |
| Detector technology | CCD |
| Collection date | 2002-05-06 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 52.777, 69.184, 74.031 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.400 * |
| R-factor | 0.1831 |
| Rwork | 0.182 |
| R-free | 0.19700 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.446 |
| 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] | 15.000 | 1.470 |
| High resolution limit [Å] | 1.400 | 1.420 |
| Rmerge | 0.026 | 0.070 |
| Total number of observations | 201345 * | |
| Number of reflections | 24948 | |
| <I/σ(I)> | 34.4 | |
| Completeness [%] | 96.2 | 93.5 |
| Redundancy | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | PEG8000, ammonium sulphate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG8000 | 20 (%) | |
| 2 | 1 | reservoir | ammonium sulfate | 150 (mM) | |
| 3 | 1 | drop | protein | 5 (mg/ml) | |
| 4 | 1 | drop | Tris | 100 (mM) | pH8.0 |
