4ZBQ
Crystal Structure of Equine Serum Albumin in complex with Diclofenac
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-13 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.071 |
| Spacegroup name | P 61 |
| Unit cell lengths | 93.580, 93.580, 141.070 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.670 - 1.920 |
| R-factor | 0.1693 |
| Rwork | 0.169 |
| R-free | 0.19899 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ot2 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.821 |
| Data reduction software | XDS (VERSION July 4, 2012) |
| Data scaling software | XSCALE |
| Phasing software | REFMAC (5.8.0103) |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.044 | 0.896 |
| Number of reflections | 53207 | |
| <I/σ(I)> | 18.57 | 2.39 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 4.94 | 5.08 |
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 |
