4AL9
Crystal structure of the lectin PA-IL from Pseudomonas aeruginoas in complex with melibiose
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 | 2007-06-25 |
| Detector | MARRESEARCH QUANTUM 4 |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.070, 58.130, 75.940 |
| Unit cell angles | 101.13, 92.89, 100.98 |
Refinement procedure
| Resolution | 30.950 - 1.750 |
| R-factor | 0.16881 |
| Rwork | 0.167 |
| R-free | 0.21134 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oko |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.569 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.950 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.050 | 0.180 |
| Number of reflections | 76423 | |
| <I/σ(I)> | 15 | 4 |
| Completeness [%] | 92.2 | 65.2 |
| Redundancy | 4.2 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 15% PEG5KMME, 100 MM SODIUM ACETATE PH 4.6, 100MM KSCN, 20% GLYCEROL (ADDED FOR CRYPROTECTION) |
