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 |
