7D6J
Human serum albumin complexed with benzbromarone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.372, 179.727, 59.658 |
| Unit cell angles | 90.00, 105.23, 90.00 |
Refinement procedure
| Resolution | 48.470 - 3.290 |
| R-factor | 0.2738 |
| Rwork | 0.271 |
| R-free | 0.32050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5yoq |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.403 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.490 |
| High resolution limit [Å] | 3.290 | 3.290 |
| Rmerge | 0.083 | 0.820 |
| Number of reflections | 17867 | 2849 |
| <I/σ(I)> | 12.97 | 2.02 |
| Completeness [%] | 99.4 | 99 |
| Redundancy | 7 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 34% PEG 3350, 50mM K phosphate buffer pH 7.0 |
