5Z2P
ThDP-Mn2+ complex of R413K variant of EcMenD soaked with 2-ketoglutarate for 5 min
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-04 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 |
Unit cell lengths | 90.260, 90.270, 167.070 |
Unit cell angles | 83.43, 76.14, 63.49 |
Refinement procedure
Resolution | 20.640 - 2.300 |
R-factor | 0.166 |
Rwork | 0.165 |
R-free | 0.20700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ej8 |
Data scaling software | Aimless (0.5.27) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.640 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.081 | 0.127 |
Number of reflections | 159070 | |
<I/σ(I)> | 7 | |
Completeness [%] | 78.1 | 77.2 |
Redundancy | 2.2 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.14M Magnesium formate, 12% PEG 3350, 0.1M HEPES PH 7.5 |