3IPN
Crystal Structure of fluorine and methyl modified collagen: (mepFlpgly)7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-14 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 26.400, 25.300, 61.900 |
| Unit cell angles | 90.00, 90.05, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.210 |
| R-free | 0.25830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k6f truncated to 21 amino acids |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.023 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.350 |
| High resolution limit [Å] | 1.200 | 1.210 |
| Number of reflections | 21822 | |
| <I/σ(I)> | 9.9 | 5.3 |
| Completeness [%] | 86.6 | 60.4 |
| Redundancy | 8.2 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.4 | 280 | 15% acetic acid to dissolve the collagen, peg4000, pH 3.4, VAPOR DIFFUSION, HANGING DROP, temperature 280K |
