7EJR
Crystal structure of V30M mutated 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 | 42.139, 85.929, 62.858 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.429 - 1.451 |
R-factor | 0.1944 |
Rwork | 0.194 |
R-free | 0.20750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4n85 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.941 |
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] | 35.470 | 1.500 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmeas | 0.046 | 0.497 |
Rpim | 0.018 | 0.192 |
Number of reflections | 41002 | 3921 |
<I/σ(I)> | 21 | 3.3 |
Completeness [%] | 99.6 | |
Redundancy | 6.5 | |
CC(1/2) | 0.999 | 0.915 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG400, CaCl2, NaOAc |