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 |