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 |