5EJM
ThDP-Mn2+ complex of R413A variant of EcMenD soaked with 2-ketoglutarate for 35 min
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-06-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 |
Unit cell lengths | 90.660, 90.670, 169.370 |
Unit cell angles | 76.07, 83.29, 64.32 |
Refinement procedure
Resolution | 31.476 - 1.720 |
R-factor | 0.1653 |
Rwork | 0.164 |
R-free | 0.19190 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.076 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.480 | 1.750 |
High resolution limit [Å] | 1.720 | 1.720 |
Rmerge | 0.064 | 0.290 |
Number of reflections | 482851 | |
<I/σ(I)> | 6.3 | 2.1 |
Completeness [%] | 95.9 | 91.2 |
Redundancy | 1.9 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | 0.16 M magnesium formate, 1% tascimate pH 7.0, 0.02 M HEPES pH 7.0, 14% PEG 3350 and 2% PEG MME 5000 |