8UF5
Catalytic domain of GtfB in complex with inhibitor G43
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-08-22 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 149.777, 149.777, 304.065 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.350 - 2.500 |
R-factor | 0.2007 |
Rwork | 0.199 |
R-free | 0.23020 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 86.900 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.233 | 1.402 |
Rmeas | 0.242 | 1.465 |
Rpim | 0.066 | 0.423 |
Total number of observations | 1571524 | |
Number of reflections | 119912 | 5836 |
<I/σ(I)> | 11.8 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.1 | 11.8 |
CC(1/2) | 0.995 | 0.563 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 295 | 2 M Ammonium sulfate, 0.1 M Bis-Tris, pH 5.5; apo crystals soaked 5-10 mins with inhibitor G43 (100 mM stock solution in DMSO; 1-2 mM final concentration) |