7QFE
Crystal structure of Human Serum albumin in complex with Gemfibrozil
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-09-28 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 184.897, 38.642, 96.213 |
Unit cell angles | 90.00, 104.58, 90.00 |
Refinement procedure
Resolution | 46.600 - 2.200 |
R-factor | 0.223 |
Rwork | 0.219 |
R-free | 0.25470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7aae |
RMSD bond length | 0.008 |
RMSD bond angle | 1.398 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.600 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.069 | 0.650 |
Number of reflections | 33831 | 2911 |
<I/σ(I)> | 8.8 | 1.7 |
Completeness [%] | 99.2 | 98.6 |
Redundancy | 3.2 | |
CC(1/2) | 0.997 | 0.752 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 285 | 30 mM Diethylene glycol, 30 mM triethylene glycol,30 mM Tetraethylene glycol, 30 mM Pentaethylene glycol, 50 mM Bicine, 50 mM Tris, pH 8.5, 12.%%MPD, 12.5 % PEG1000, 12.5% PEG3350 |