4CP9
Crystal structure OF lecA lectin complexed with a divalent galactoside at 1.65 angstrom
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-26 |
| Detector | MARRESERACH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.876, 66.259, 159.427 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.470 - 1.650 |
| R-factor | 0.15665 |
| Rwork | 0.155 |
| R-free | 0.18362 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oko |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.725 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.470 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.040 | 0.510 |
| Number of reflections | 65807 | |
| <I/σ(I)> | 22.9 | 3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.4 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | SOLUTION 20 OF THE CSSI SCREEN 8% PEG 20K, 8% PEG550MME, 100 MM TRIS 8.5 AND 0.2 M LI2SO4 |
