3MQL
Crystal structure of the fibronectin 6FnI1-2FnII7FnI fragment
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-05 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 103.947, 103.947, 102.143 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.973 - 3.004 |
R-factor | 0.2026 |
Rwork | 0.201 |
R-free | 0.23050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | INDIVIDUAL DOMAINS FROM PDB ENTRIES 2CG7 2rky 3ejh 1eak 1h8p 1l6j |
RMSD bond length | 0.004 |
RMSD bond angle | 0.776 |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.6_289)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.974 | 3.170 |
High resolution limit [Å] | 3.004 | 3.000 |
Rmerge | 0.473 | |
Number of reflections | 5835 | |
<I/σ(I)> | 27 | 1.7 |
Completeness [%] | 99.7 | 98.6 |
Redundancy | 7.1 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 1:1 drops of of protein in 100 mM NaCl, 10mM HEPES pH 7.2 buffer at 17.5 mg/ml concentration, and a 0.2 M (NH4)H2PO4, 0.1 M Tris-Cl pH 8.5, 50% MPD buffer, VAPOR DIFFUSION, SITTING DROP, temperature 293K |