6CDX
High-resolution crystal structure of fluoropropylated cystine knot, binding to alpha-5 beta-6 integrin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 298 |
Detector technology | CMOS |
Collection date | 2016-06-26 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 16.950, 44.250, 66.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.820 - 1.000 |
R-factor | 0.204 |
Rwork | 0.203 |
R-free | 0.22570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB entries 2N8C & 2N8B |
RMSD bond length | 0.032 |
RMSD bond angle | 3.366 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.820 | |
High resolution limit [Å] | 1.000 | 1.000 |
Rmerge | 0.036 | |
Number of reflections | 27921 | 999 |
<I/σ(I)> | 32.3 | |
Completeness [%] | 94.1 | |
Redundancy | 29 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 298 | Isopropanol |