5X52
Human serum albumin complexed with octanoate and N-acetyl-L-methionine
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 | 2016-06-24 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9800 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.538, 179.373, 59.323 |
| Unit cell angles | 90.00, 105.43, 90.00 |
Refinement procedure
| Resolution | 47.761 - 3.005 |
| R-factor | 0.2381 |
| Rwork | 0.236 |
| R-free | 0.27800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vuf |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.410 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.10.1)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 3.000 |
| Rmerge | 0.072 |
| Rpim | 0.030 |
| Number of reflections | 23390 |
| <I/σ(I)> | 32.8 |
| Completeness [%] | 99.9 |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 32% PEG3350, 50 mM pottasium phosphate buffer |
