8CKS
Crystal structure of Human Serum Albumin in complex with FESAN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU PhotonJet-S |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-30 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54184 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 94.668, 57.817, 129.361 |
| Unit cell angles | 90.00, 109.22, 90.00 |
Refinement procedure
| Resolution | 19.571 - 2.600 |
| Rwork | 0.234 |
| R-free | 0.31390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.133 |
| Data reduction software | CrysalisPro (42.80a) |
| Data scaling software | Aimless (0.7.9) |
| Phasing software | MOLREP (11.9.02) |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.571 | 2.720 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.102 | 0.793 |
| Rmeas | 0.108 | 0.835 |
| Rpim | 0.035 | 0.260 |
| Number of reflections | 20485 | 2481 |
| <I/σ(I)> | 13.6 | 2.6 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 9.7 | 10.4 |
| CC(1/2) | 0.998 | 0.933 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 281 | 1.4 M (NH4)2SO4, 1% v/v 1,1,1,3,3,3-hexafluoro-2-propanol |
