2JDM
Mutant (S22A) of Pseudomonas aeruginosa lectin II (PA-IIL) complexed with methyl-a-L-fucopyranoside
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-26 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.674, 73.090, 54.917 |
| Unit cell angles | 90.00, 94.25, 90.00 |
Refinement procedure
| Resolution | 54.800 - 1.700 |
| R-factor | 0.177 |
| Rwork | 0.174 |
| R-free | 0.22300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uzv |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.289 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.670 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.080 | 0.320 |
| Number of reflections | 43407 | |
| <I/σ(I)> | 14.4 | 3.5 |
| Completeness [%] | 95.4 | 92.4 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 0.2 M LITHIUM MONOHYDRATE SULFATE,0.1 M TRIS HYDROCLORIDE (PH 8.5), 30% PEG 4000, (PA-IIL/A-L-ME-FUC COMPLEX WAS OBTAINED BY SOAKING METHOD FROM FUCOSE-CONTAINING CRISTAL) |
