4PO0
Crystal Structure of Leporine Serum Albumin in complex with naproxen
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-09 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8015 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.440, 79.790, 102.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.110 - 2.730 |
| R-factor | 0.18974 |
| Rwork | 0.186 |
| R-free | 0.25869 |
| Structure solution method | RIGID BODY REFINEMENT OF THE NATIVE STRUCTURE |
| Starting model (for MR) | 4f5v |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.056 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC (5.7.0032) |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.830 |
| High resolution limit [Å] | 2.730 | 2.730 |
| Rmerge | 0.112 | 0.972 |
| Number of reflections | 16825 | |
| <I/σ(I)> | 15.05 | 2.44 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7.29 | 7.33 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 16% PEG 3350, 8% PPG 400, 0.2 M AMMONIUM ACETATE, 0.1 M TRIS PH 7.5., VAPOR DIFFUSION, HANGING DROP, temperature 293K |
