2D3H
Crystal structures of collagen model peptides (Pro-Pro-Gly)4-Hyp-Hyp-Gly-(Pro-Pro-Gly)4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6A |
| Synchrotron site | Photon Factory |
| Beamline | BL-6A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2004-09-30 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 25.987, 26.668, 79.843 |
| Unit cell angles | 90.00, 90.03, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.220 |
| R-factor | 0.1964 |
| Rwork | 0.193 |
| R-free | 0.25480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 2CUO |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.024 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | X-PLOR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.610 | 1.260 |
| High resolution limit [Å] | 1.220 | 1.220 |
| Rmerge | 0.082 | 0.287 |
| Number of reflections | 32577 | |
| <I/σ(I)> | 4.5 | 2.2 |
| Completeness [%] | 98.7 | 99.8 |
| Redundancy | 3.52 | 3.79 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | PEG 1000, ACETATE BUFFER, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
