5ID7
Crystal structure of human serum albumin in complex with phosphorodithioate derivative of myristoyl cyclic phosphatidic acid (cPA)
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 | 2014-05-07 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 |
| Unit cell lengths | 37.895, 85.167, 96.308 |
| Unit cell angles | 105.46, 89.78, 101.34 |
Refinement procedure
| Resolution | 45.900 - 2.260 |
| R-factor | 0.20734 |
| Rwork | 0.206 |
| R-free | 0.25262 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a73 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.942 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.350 | 2.400 |
| High resolution limit [Å] | 2.260 | 2.260 |
| Rmerge | 0.050 | 0.369 |
| Number of reflections | 49652 | |
| <I/σ(I)> | 12.4 | 2.3 |
| Completeness [%] | 93.5 | 90.1 |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 28% PEG3350, 50 mM phosphate buffer |
