7DB1
Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in dimedone- and glutathione-bound form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-11-14 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.228, 75.178, 106.646 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.340 - 1.830 |
R-factor | 0.1757 |
Rwork | 0.174 |
R-free | 0.21090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6kem |
RMSD bond length | 0.007 |
RMSD bond angle | 1.013 |
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] | 30.340 | 1.895 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.067 | 0.743 |
Rmeas | 0.075 | 0.825 |
Rpim | 0.032 | 0.350 |
Number of reflections | 39580 | 4017 |
<I/σ(I)> | 19.79 | 2.22 |
Completeness [%] | 94.1 | 97.24 |
Redundancy | 5.2 | 5.2 |
CC(1/2) | 0.999 | 0.685 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 34% (v/v) PPG400 in 80mM Bis-Tris, pH 6.4 |