6QS9
Bovine Serum Albumin in complex with Ketoprofen
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 212.486, 44.374, 142.715 |
Unit cell angles | 90.00, 113.24, 90.00 |
Refinement procedure
Resolution | 46.585 - 2.802 |
R-factor | 0.2181 |
Rwork | 0.215 |
R-free | 0.27230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4or0 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.329 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.590 | 2.890 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.030 | |
Number of reflections | 30574 | |
<I/σ(I)> | 17.2 | |
Completeness [%] | 99.5 | |
Redundancy | 2.8 | |
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 18% MMEPEG 5000, 0.2M ammonium chloride, 0.1M MES pH 6.5 |