2JDN
Mutant (S22A) of Pseudomonas aeruginosa lectin II (PA-IIL) complexed with methyl-a-L-mannopyranoside
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 | 2005-04-27 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.490, 72.947, 54.653 |
| Unit cell angles | 90.00, 94.32, 90.00 |
Refinement procedure
| Resolution | 54.470 - 1.300 |
| R-factor | 0.139 |
| Rwork | 0.138 |
| R-free | 0.15500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uzv |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.420 |
| 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] | 21.200 | 1.330 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.040 | 0.080 |
| Number of reflections | 99982 | |
| <I/σ(I)> | 23.1 | 12.4 |
| Completeness [%] | 99.2 | 96.4 |
| Redundancy | 4.2 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | TRIS HCL 0.1M, PH8.5, 1.75 M AMMNONIUM SULFATE(THE PA-IIL/GLYCOMIMETIC COMPLEXE WAS OBTAINED BY SOAKING METHOD FROM FUCOSE-CONTAINING CRISTAL), pH 8.50 |
