7VTB
Partially closed conformation of talaropentaene synthase cyclase domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-19 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.1 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 75.809, 61.942, 81.297 |
Unit cell angles | 90.00, 116.30, 90.00 |
Refinement procedure
Resolution | 47.200 - 2.000 |
R-factor | 0.1827 |
Rwork | 0.181 |
R-free | 0.22400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7vta |
RMSD bond length | 0.007 |
RMSD bond angle | 0.722 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.200 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.050 | 0.232 |
Number of reflections | 22448 | 1621 |
<I/σ(I)> | 14.3 | 4.2 |
Completeness [%] | 98.1 | |
Redundancy | 3.6 | 3.7 |
CC(1/2) | 0.998 | 0.927 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1 M Tris-Cl pH 8.5, 0.1 M MgCl2, 30% PEG 4000, 0.2 M NDSB-211 |