3T4F
Crystal Structure of a KGE Collagen Mimetic Peptide at 1.68 A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-03-08 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 |
| Unit cell lengths | 14.026, 23.815, 67.657 |
| Unit cell angles | 95.01, 94.69, 94.86 |
Refinement procedure
| Resolution | 18.510 - 1.680 |
| R-factor | 0.1033 |
| Rwork | 0.101 |
| R-free | 0.14130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qsu |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.215 |
| 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] | 18.510 | 1.740 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.053 | 0.120 |
| Number of reflections | 7978 | 756 |
| <I/σ(I)> | 19.4 | |
| Completeness [%] | 80.1 | 76.1 |
| Redundancy | 1.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 293 | 50% Tacsimate buffer, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
