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 |