5YOQ
Human serum albumin complexed with sodium 4-phenylbutyrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-20 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.465, 181.913, 59.474 |
| Unit cell angles | 90.00, 105.16, 90.00 |
Refinement procedure
| Resolution | 45.348 - 2.650 |
| R-factor | 0.2361 |
| Rwork | 0.235 |
| R-free | 0.25550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5x52 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.415 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.700 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.078 | 0.688 |
| Number of reflections | 34871 | 1751 |
| <I/σ(I)> | 35.7 | 2.83 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.7 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 288 | 28%(w/v) PEG 3350, 10%(v/v) MPD, 50mM potassium phosphate buffer pH 7.0 |
