5XCU
Crystal structure of 12CA5 Fv-clasp fragment with its antigen peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.380, 107.310, 66.700 |
| Unit cell angles | 90.00, 92.92, 90.00 |
Refinement procedure
| Resolution | 44.580 - 2.454 |
| R-factor | 0.2011 |
| Rwork | 0.199 |
| R-free | 0.24650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xcs |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.959 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.580 | 2.600 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Number of reflections | 29296 | |
| <I/σ(I)> | 10.85 | 2.49 |
| Completeness [%] | 98.9 | 98.4 |
| Redundancy | 5.2 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.2M Ammonium sulfate, 0.1M HEPES (pH 7.5), 25%(w/v) PEG3350 |
