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 |
