4OR0
Crystal Structure of Bovine Serum Albumin in complex with naproxen
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 | 2012-07-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9184 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 216.043, 44.897, 141.699 |
| Unit cell angles | 90.00, 113.99, 90.00 |
Refinement procedure
| Resolution | 42.280 - 2.580 |
| R-factor | 0.18537 |
| Rwork | 0.183 |
| R-free | 0.25732 |
| Structure solution method | RIGID BODY REFINEMENT OF THE NATIVE STRUCTURE |
| Starting model (for MR) | 4f5s |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.053 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.680 |
| High resolution limit [Å] | 2.580 | 2.580 |
| Rmerge | 0.059 | 0.782 |
| Number of reflections | 39630 | |
| <I/σ(I)> | 20.46 | 2.78 |
| Completeness [%] | 99.3 | 99.7 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 18% MMEPEG 5000, 0.2M ammonium chloride, 0.1M MES 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
