5GIS
Crystal structure of a Fab fragment with its ligand peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-20 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.050, 65.000, 67.130 |
| Unit cell angles | 90.00, 111.80, 90.00 |
Refinement procedure
| Resolution | 44.990 - 1.930 |
| R-factor | 0.18766 |
| Rwork | 0.186 |
| R-free | 0.21604 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5gir |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.534 |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 2.040 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Number of reflections | 34050 | |
| <I/σ(I)> | 12.3 | |
| Completeness [%] | 98.2 | |
| Redundancy | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M Imidazole-HCl pH 6.5, 2.1 M Ammonium Sulfate, 0.2 M Potassium/Sodium Tartrate |
