7W9R
Crystal structure of V30M-TTR in complex with naringenin derivative-18
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 | 2019-11-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 42.766, 84.477, 64.071 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.954 - 1.997 |
R-factor | 0.1777 |
Rwork | 0.175 |
R-free | 0.22450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4n85 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.864 |
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] | 35.570 | 2.070 |
High resolution limit [Å] | 1.997 | 2.000 |
Rmeas | 0.064 | 0.680 |
Number of reflections | 15855 | 1498 |
<I/σ(I)> | 16 | 3.3 |
Completeness [%] | 96.7 | 93.6 |
Redundancy | 5.5 | 5.7 |
CC(1/2) | 0.999 | 0.882 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG400, NaOAc, CaCl2 |