3U29
Crystal Structure of a KGD Collagen Mimetic Peptide at 2.0 A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-07-28 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 14.220, 23.247, 67.536 |
| Unit cell angles | 94.27, 94.74, 93.36 |
Refinement procedure
| Resolution | 23.130 - 2.000 |
| R-factor | 0.1243 |
| Rwork | 0.121 |
| R-free | 0.19160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3t4f |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.054 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | EPMR |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.098 | 0.170 |
| Number of reflections | 4448 | 322 |
| <I/σ(I)> | 21 | |
| Completeness [%] | 76.9 | 76.44 |
| Redundancy | 1.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 298.15 | Tacsimate buffer, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 298.15K |
