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 |
