7VR9
Crystal structure of human serum albumin complex with aripiprazole and myristic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-02 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 |
Unit cell lengths | 38.825, 94.039, 94.868 |
Unit cell angles | 105.29, 89.84, 100.20 |
Refinement procedure
Resolution | 35.690 - 2.300 |
R-factor | 0.2209 |
Rwork | 0.219 |
R-free | 0.26090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bj5 |
RMSD bond length | 0.009 |
RMSD bond angle | 0.619 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.690 | 35.690 | 2.440 |
High resolution limit [Å] | 2.300 | 6.830 | 2.300 |
Rmerge | 0.045 | 0.031 | 0.329 |
Rmeas | 0.053 | 0.037 | 0.393 |
Number of reflections | 55157 | 2089 | 8844 |
<I/σ(I)> | 14.47 | 33.91 | 2.78 |
Completeness [%] | 97.3 | 96.8 | 96.4 |
Redundancy | 3.553 | 3.509 | 3.383 |
CC(1/2) | 0.999 | 0.998 | 0.908 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 32% PEG 3350, 50mM potassium phosphate pH 7.0 |