7PKA
Synechocystis sp. PCC6803 glutathione transferase Chi 1, GSOH bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-17 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.980111 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 92.613, 92.613, 193.561 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.470 - 2.160 |
R-factor | 0.2167 |
Rwork | 0.216 |
R-free | 0.23160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lsz |
RMSD bond length | 0.008 |
RMSD bond angle | 0.950 |
Data reduction software | XDS (VERSION Jan 31, 2020) |
Data scaling software | Aimless (Version 0.7.4) |
Phasing software | MoRDa |
Refinement software | BUSTER (2.10.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.390 | 2.230 |
High resolution limit [Å] | 2.160 | 2.160 |
Rmerge | 0.115 | 1.749 |
Rpim | 0.023 | 0.343 |
Number of reflections | 45994 | 3829 |
<I/σ(I)> | 21.6 | 2.5 |
Completeness [%] | 99.7 | 97.4 |
Redundancy | 26.6 | 25.3 |
CC(1/2) | 0.999 | 0.950 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 277 | Protein solution: 44 mg/mL protein, 12 mM GSH, 30mM Tris pH 8, 200 mM NaCl; Reservoir solution: 16% (w/v) PEG 8000, 40 mM Potassium phosphate monobasic 2, 20% (v/v) Glycerol |