7DB2
Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in GS-dimedone-bound form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-15 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.676, 75.887, 106.174 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.940 - 1.400 |
R-factor | 0.1962 |
Rwork | 0.195 |
R-free | 0.21870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6kem |
RMSD bond length | 0.006 |
RMSD bond angle | 1.035 |
Data reduction software | XDS (Jun 17, 2015) |
Data scaling software | Aimless (0.5.15) |
Phasing software | MOLREP (11.7.02) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.944 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.045 | 0.045 |
Rmeas | 0.047 | |
Number of reflections | 93907 | 9280 |
<I/σ(I)> | 29.12 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.9 | 12.3 |
CC(1/2) | 0.999 | 0.835 |
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 |