4A6S
Structure of the PAIL lectin from Pseudomonas aeruginosa in complex with 2-Naphtyl-1-thio-beta-D-galactopyranoside
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-25 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 54.334, 54.334, 390.501 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.130 - 2.150 |
| R-factor | 0.21657 |
| Rwork | 0.214 |
| R-free | 0.25881 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oko |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.657 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.270 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.040 | 0.390 |
| Number of reflections | 37963 | |
| <I/σ(I)> | 14.4 | 2.3 |
| Completeness [%] | 99.5 | 99.9 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | 0.8 M LISO4, 100 MM SODIUM ACETATE PH 4.5, 25% GLYCEROL (ADDED FOR CRYPROTECTION). |
