3F7R
First pair of Fibronectin type III domains and part of the connecting segment of the integrin beta4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2005-04-26 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 137.500, 42.150, 56.910 |
Unit cell angles | 90.00, 109.92, 90.00 |
Refinement procedure
Resolution | 35.674 - 2.036 |
R-factor | 0.178 |
Rwork | 0.176 |
R-free | 0.21490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qg3 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.130 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.674 | 2.110 |
High resolution limit [Å] | 2.036 | 2.036 |
Number of reflections | 19563 | |
<I/σ(I)> | 16.6 | 5.6 |
Completeness [%] | 98.2 | 85.9 |
Redundancy | 3.9 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 298 | 0.1M Cacodylate, 18.75% PEG 600, 6.25% Glycerol, 0.7M NaCl, pH 6.5, VAPOR DIFFUSION, temperature 298K |