8RCO
Structure of Human Serum Albumin in complex with Aristolochic Acid II at 1.9 A resolution
Replaces: 7OV5Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-09-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97865 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 94.821, 38.671, 180.841 |
Unit cell angles | 90.00, 104.93, 90.00 |
Refinement procedure
Resolution | 73.370 - 1.900 |
R-factor | 0.2324 |
Rwork | 0.230 |
R-free | 0.27100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.565 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 174.740 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 101166 | 4813 |
<I/σ(I)> | 6 | |
Completeness [%] | 99.3 | |
Redundancy | 4.6 | |
CC(1/2) | 0.995 | 0.633 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 30% PEG3350, 25 mM Sodium Phosphate pH 7.0 |