6HN1
Complex of Caprine Serum Albumin with diclofenac
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 | 2014-09-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.960, 66.280, 212.580 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.550 |
| R-factor | 0.16579 |
| Rwork | 0.165 |
| R-free | 0.23853 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ori |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.981 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.650 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.049 | 0.726 |
| Number of reflections | 85408 | 13473 |
| <I/σ(I)> | 22.13 | 2.11 |
| Completeness [%] | 97.9 | 91.9 |
| Redundancy | 5.9 | 4.3 |
| CC(1/2) | 0.999 | 0.669 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Jeffamine ED2001, citric buffer pH 5.0, BaCl2 |
