4ZBR
Crystal Structure of Equine Serum Albumin in complex with Diclofenac and 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 | 2014-05-31 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 61 |
| Unit cell lengths | 93.710, 93.710, 141.900 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.860 - 2.190 |
| R-factor | 0.17702 |
| Rwork | 0.176 |
| R-free | 0.22462 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ot2 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.896 |
| Data reduction software | XDS (VERSION July 4, 2012) |
| Data scaling software | XSCALE (VERSION July 4, 2012) |
| Phasing software | REFMAC (5.8.0103) |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.290 |
| High resolution limit [Å] | 2.190 | 2.190 |
| Rmerge | 0.074 | 0.984 |
| Number of reflections | 35710 | |
| <I/σ(I)> | 18.63 | 2.7 |
| Completeness [%] | 99.0 | 98.3 |
| Redundancy | 4.5 | 4.47 |
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 Diclofenac and Naproxen |
