5N47
Structure of Anticalin N7E in complex with the three-domain fragment Fn7B8 of human oncofetal fibronectin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-24 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.91841 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 135.148, 135.148, 203.939 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.000 - 3.000 |
R-factor | 0.2096 |
Rwork | 0.208 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gh7 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.308 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.000 | 35.000 | 3.100 |
High resolution limit [Å] | 3.000 | 10.000 | 3.000 |
Rmerge | 0.124 | 0.030 | 1.059 |
Rmeas | 0.129 | 0.031 | 1.096 |
Total number of observations | 564576 | ||
Number of reflections | 38486 | 1145 | 3528 |
<I/σ(I)> | 21.7 | 59.53 | 3.08 |
Completeness [%] | 99.9 | 96.5 | 100 |
Redundancy | 14.67 | 11.997 | 15.065 |
CC(1/2) | 0.999 | 1.000 | 0.888 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 17 % (w/v) PEG3350, 0.2 M NaCl, 0.1 M Na-malonate |