5ID9
Crystal structure of equine 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 | 2013-04-12 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.9184 |
Spacegroup name | P 61 |
Unit cell lengths | 93.860, 93.860, 141.790 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.480 |
R-factor | 0.17261 |
Rwork | 0.170 |
R-free | 0.22906 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ot2 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.847 |
Data reduction software | XDS (VERSION July 4, 2012) |
Data scaling software | XSCALE |
Phasing software | REFMAC (5.8.0135) |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.580 |
High resolution limit [Å] | 2.480 | 2.480 |
Rmerge | 0.088 | 0.991 |
Number of reflections | 24973 | |
<I/σ(I)> | 14.5 | 2.1 |
Completeness [%] | 99.6 | 99.4 |
Redundancy | 4.6 | 4.7 |
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 1.8 M Ammonium sulfate, 0.1 M acetate buffer pH 4.5, cocrystallization |