8RGL
Structure of Human Serum Albumin in complex with Aristolochic Acid I at 1.9 A resolution - Optimized
Replaces: 7OV6Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-06-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9798 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 95.247, 38.189, 181.918 |
Unit cell angles | 90.00, 105.10, 90.00 |
Refinement procedure
Resolution | 45.980 - 1.900 |
R-factor | 0.233 |
Rwork | 0.230 |
R-free | 0.28070 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.799 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.980 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 99387 | 4618 |
<I/σ(I)> | 10.9 | |
Completeness [%] | 98.5 | |
Redundancy | 4.1 | |
CC(1/2) | 0.997 | 0.802 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 25% PEG 3350, 25 mM Sodipum Phosphate pH 7.0 |