3GGW
Crystal Structure of FAB F22-4 in complex with a Carbohydrate-mimetic peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2006-03-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.939 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.880, 69.530, 110.190 |
| Unit cell angles | 90.00, 97.71, 90.00 |
Refinement procedure
| Resolution | 47.970 - 1.700 |
| R-factor | 0.198 |
| Rwork | 0.197 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c5s |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.590 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.970 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.071 | 0.724 |
| Number of reflections | 107480 | |
| <I/σ(I)> | 13.4 | 1.9 |
| Completeness [%] | 97.8 | 96.8 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 290 | 20% PEG 6000, 50mM IMIDAZOLE, PH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
