7EJQ
Crystal structure of human transthyretin in complex with 8-chloro-9-oxo-9H-xanthene-3-carboxylic 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 | 2018-11-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 42.027, 85.359, 63.487 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.946 - 1.150 |
R-factor | 0.1458 |
Rwork | 0.145 |
R-free | 0.16740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4n85 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.031 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.680 | 1.190 |
High resolution limit [Å] | 1.150 | 1.150 |
Rmeas | 0.042 | 0.293 |
Rpim | 0.016 | 0.114 |
Number of reflections | 79314 | 7242 |
<I/σ(I)> | 23.5 | 6.2 |
Completeness [%] | 96.5 | |
Redundancy | 6.6 | |
CC(1/2) | 0.999 | 0.971 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG400, CaCl2, NaOAc |