7W9Q
Crystal structure of V30M-TTR in complex with naringenin derivative-14
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 | 2019-06-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 43.378, 85.380, 63.957 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.507 - 1.599 |
R-factor | 0.1875 |
Rwork | 0.187 |
R-free | 0.20090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4n85 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.850 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.12-2829_1069: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.510 | 1.660 |
High resolution limit [Å] | 1.599 | 1.600 |
Rmeas | 0.049 | 0.792 |
Number of reflections | 31948 | 3058 |
<I/σ(I)> | 19.3 | 2.1 |
Completeness [%] | 99.5 | |
Redundancy | 5.5 | |
CC(1/2) | 0.999 | 0.774 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG400, NaOAc, CaCl2 |