7DAZ
Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in TDP015- and GSH-bound form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-08-16 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 0.98000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.333, 75.959, 111.147 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.940 - 1.640 |
R-factor | 0.1934 |
Rwork | 0.192 |
R-free | 0.22180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6kem |
RMSD bond length | 0.005 |
RMSD bond angle | 1.217 |
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] | 35.940 | 1.699 |
High resolution limit [Å] | 1.640 | 1.640 |
Rmerge | 0.055 | 1.221 |
Rmeas | 0.057 | 1.265 |
Number of reflections | 61231 | 6042 |
<I/σ(I)> | 23.98 | 2.14 |
Completeness [%] | 1.0 | 1 |
Redundancy | 14.4 | 14.7 |
CC(1/2) | 1.000 | 0.861 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 293 | 34% (v/v) PPG 400 in 80mM Bis-Tris, pH 6.4 |