8BSG
COMPLEX OF LEPORINE 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 | PIXEL |
| Collection date | 2014-09-23 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.780, 80.130, 104.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.650 - 1.890 |
| R-factor | 0.20091 |
| Rwork | 0.198 |
| R-free | 0.25183 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.040 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.990 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.060 | 1.320 |
| Rmeas | 0.065 | |
| Number of reflections | 50638 | 7167 |
| <I/σ(I)> | 21.67 | 2.09 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 7.18 | 6.95 |
| CC(1/2) | 0.999 | 0.733 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 16% PEG3350, 8% PPG400, 0.2 M ammonium acetate and 0.1 M TRIS |
