2JDP
Mutant (S23A) 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 | 2006-04-07 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 95.062, 45.690, 87.952 |
| Unit cell angles | 90.00, 94.21, 90.00 |
Refinement procedure
| Resolution | 87.710 - 1.300 |
| R-factor | 0.171 |
| Rwork | 0.169 |
| R-free | 0.19700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uzv |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.476 |
| 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] | 87.710 | 1.330 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.050 | 0.350 |
| Number of reflections | 98919 | |
| <I/σ(I)> | 16.2 | 2.6 |
| Completeness [%] | 95.8 | 93 |
| Redundancy | 3.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.2 M DIGYDRATED CALCIUM CHLORIDE, 0.1 M TRIHYDRATED SODIUM ACETATE (PH7.5), 20% ISO-PROPANOL, pH 7.50 |
