9UPD
Crystal structure of human serum albumin complex with nateglinide
This is a non-PDB format compatible entry.
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 | 2023-12-24 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.450, 180.800, 60.290 |
| Unit cell angles | 90.00, 105.64, 90.00 |
Refinement procedure
| Resolution | 47.700 - 2.800 |
| R-factor | 0.2494 |
| Rwork | 0.247 |
| R-free | 0.28740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.436 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.900 | 2.970 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.073 | 0.773 |
| Number of reflections | 29914 | 4737 |
| <I/σ(I)> | 15.19 | 1.85 |
| Completeness [%] | 99.4 | 97.5 |
| Redundancy | 5.9 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 32% PEG 3350, 50mM potassium phosphate pH 7.0 |
