7DAY
Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in TDP013-, and GSH-bound form
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 | 2017-12-18 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.980000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.700, 75.100, 108.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.550 - 1.480 |
R-factor | 0.1833 |
Rwork | 0.182 |
R-free | 0.20450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6kem |
RMSD bond length | 0.007 |
RMSD bond angle | 0.928 |
Data reduction software | XDS (Jun 17, 2015) |
Data scaling software | Aimless (0.5.15) |
Phasing software | MOLREP (11.7.02) |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.550 | 1.533 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.117 | 0.981 |
Rmeas | 0.119 | 1.007 |
Rpim | 0.019 | 0.218 |
Number of reflections | 80334 | 7800 |
<I/σ(I)> | 27.07 | 3.98 |
Completeness [%] | 99.7 | 97.83 |
Redundancy | 35.7 | 20.1 |
CC(1/2) | 1.000 | 0.841 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 293 | 34% (v/v) PPG400 in 80 mM Bis-Tris, pH 6.4 |