5EJ4
EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 15 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 | 2014-12-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 |
| Unit cell lengths | 90.791, 90.771, 169.561 |
| Unit cell angles | 83.27, 76.01, 64.30 |
Refinement procedure
| Resolution | 41.820 - 1.773 |
| R-factor | 0.1778 |
| Rwork | 0.176 |
| R-free | 0.21690 |
| 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] | 41.820 | 1.840 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.077 | 0.417 |
| Number of reflections | 443335 | |
| <I/σ(I)> | 7.1 | |
| Completeness [%] | 96.6 | 94.8 |
| Redundancy | 2 | 2 |
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 |
