4OT2
Crystal Structure of Equine Serum Albumin in complex with Naproxen
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 61 |
| Unit cell lengths | 93.770, 93.770, 142.410 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.420 |
| R-factor | 0.182 |
| Rwork | 0.179 |
| R-free | 0.24737 |
| Structure solution method | RIGID BODY REFINEMENT OF THE NATIVE STRUCTURE |
| Starting model (for MR) | 4f5t |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.753 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC (5.8.0049) |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.520 |
| High resolution limit [Å] | 2.420 | 2.420 |
| Rmerge | 0.069 | 0.951 |
| Number of reflections | 26724 | |
| <I/σ(I)> | 17.57 | 2.05 |
| Completeness [%] | 98.8 | 99.5 |
| Redundancy | 3.94 | 3.95 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 1.6 M Ammonium sulfate, 0.1 M acetate buffer pH 4.5, cocrystallization with Naproxen, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
