6GVK
Second pair of Fibronectin type III domains of integrin beta4 (T1663R mutant) bound to the bullous pemphigoid antigen BP230 (BPAG1e)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-04-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97915 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 105.580, 59.520, 42.400 |
Unit cell angles | 90.00, 113.50, 90.00 |
Refinement procedure
Resolution | 38.885 - 1.550 |
R-factor | 0.1955 |
Rwork | 0.195 |
R-free | 0.21020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wtw 4wtx |
RMSD bond length | 0.004 |
RMSD bond angle | 0.700 |
Data reduction software | XDS (March 1, 2015) |
Data scaling software | XSCALE (March 1, 2015) |
Phasing software | PHASER (2.5.7) |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.885 | 38.885 | 1.590 |
High resolution limit [Å] | 1.550 | 6.930 | 1.550 |
Rmerge | 0.055 | 0.041 | 3.410 |
Rmeas | 0.056 | 0.042 | 3.501 |
Number of reflections | 35010 | 419 | 2562 |
<I/σ(I)> | 26.42 | 81.97 | 1.53 |
Completeness [%] | 99.7 | 98.4 | 99.8 |
Redundancy | 19.985 | 18.969 | 19.379 |
CC(1/2) | 1.000 | 0.999 | 0.705 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 0.1 M Na-acetate (pH 5.0), 20% PEG 6000, 0.2 M MgCl2 |