3A1H
Crystal Structure Analysis of the Collagen-like Peptide, (PPG)4-OTG-(PPG)4
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 | CCD |
| Collection date | 2008-01-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 25.990, 26.490, 80.210 |
| Unit cell angles | 90.00, 89.85, 90.00 |
Refinement procedure
| Resolution | 26.500 - 1.080 |
| Rwork | 0.135 |
| R-free | 0.18500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cuo |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.034 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | PHASER |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.500 | 1.120 |
| High resolution limit [Å] | 1.080 | 1.080 |
| Rmerge | 0.076 | 0.304 |
| Number of reflections | 46090 | |
| <I/σ(I)> | 2.9 | |
| Completeness [%] | 97.4 | 99.1 |
| Redundancy | 3.26 | 3.33 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 277 | 12.5%(w/v) PEG 400, 0.1M MES buffer, pH 5.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
