6YG9
CRYSTAL STRUCTURE OF HUMAN SERUM ALBUMIN (HSA) IN COMPLEX WITH GN-07.
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 | 2016-08-04 |
Detector | DECTRIS PILATUS3 X 1M |
Wavelength(s) | 1.000000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 197.722, 38.141, 95.372 |
Unit cell angles | 90.00, 105.88, 90.00 |
Refinement procedure
Resolution | 58.510 - 1.890 |
R-factor | 0.243 |
Rwork | 0.239 |
R-free | 0.31300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | in-house structure |
RMSD bond length | 0.010 |
RMSD bond angle | 1.200 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.21) |
Phasing software | PHASER |
Refinement software | BUSTER |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.510 | 1.897 |
High resolution limit [Å] | 1.890 | 1.890 |
Rmeas | 0.077 | 0.620 |
Rpim | 0.043 | 0.344 |
Total number of observations | 156458 | 20574 |
Number of reflections | 53533 | 7654 |
<I/σ(I)> | 11.7 | 2.3 |
Completeness [%] | 96.3 | 91.9 |
Redundancy | 2.9 | 2.7 |
CC(1/2) | 0.996 | 0.735 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | Essentially defatted human serum albumin from Sigma was purified by size exclusion chromatography to obtain pure monomeric protein. The purified HSA was dissolved in 20 mM potassium phosphate (pH 7.0) and concentrated to 120 mg/mL. To the HSA solution we added 10 mM cpdX and 3 mM myristate, dissolved DMSO. The final concentration of DMSO was 5% (v/v). The crystal was grown by the hanging drop vapor diffusion method using a reservoir solution containing 50 mM sodium-potassium-phosphate (pH 7.0), and 30% polyethylene glycol 3350. For crystallization 1 uL of HSA/cpdX solution was equilibrated against 1 uL of reservoir solution. After about one-week, colorless crystals appeared. |