4R9W
Crystal structure of platelet factor 4 complexed with fondaparinux
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-28 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 67.333, 67.333, 61.756 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 22.756 - 2.500 |
| R-factor | 0.2244 |
| Rwork | 0.224 |
| R-free | 0.24480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.928 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.820 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.750 | 2.500 |
| Rmerge | 0.250 | 0.689 | |
| Number of reflections | 5900 | ||
| Completeness [%] | 98.7 | 99.3 | 98.2 |
| Redundancy | 5.8 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 289 | 2% PEG4000, 17% MPD, 0.1 M sodium acetate pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
