7DKR
Crystal structure of native E. coli Grx2 at 2.38 A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 11.2C |
Synchrotron site | ELETTRA |
Beamline | 11.2C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 28.470, 78.950, 89.280 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.475 - 2.378 |
R-factor | 0.1973 |
Rwork | 0.195 |
R-free | 0.24890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kx4 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA (0.7.4) |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 89.280 | 2.470 |
High resolution limit [Å] | 2.380 | 2.380 |
Rmerge | 0.115 | 0.314 |
Rmeas | 0.120 | 0.332 |
Rpim | 0.036 | 0.106 |
Number of reflections | 8647 | 877 |
<I/σ(I)> | 15.2 | 6.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 11 | 9.5 |
CC(1/2) | 0.997 | 0.973 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | Protein solution: 25mg/ml in 25mM Tris pH 8.0, 150 mM NaCl, Reservoir condition:0.1M HEPES pH:7.5, 20% w/v PEG 10000, Protein/reservoir mixed in 1:1, 1:2 and 2:1 ratio, set up using MRC Swissci 3 well plates with the drop size of 150 nl |