5EJ8
EcMenD-ThDP-Mn2+ complex structure soaked with 2-ketoglutarate for 2 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 | 2015-04-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 |
| Unit cell lengths | 90.660, 90.760, 169.340 |
| Unit cell angles | 83.25, 76.03, 64.32 |
Refinement procedure
| Resolution | 27.649 - 1.340 |
| R-factor | 0.1343 |
| Rwork | 0.133 |
| R-free | 0.16360 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.065 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10_2152: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.650 | 1.390 |
| High resolution limit [Å] | 1.340 | 1.340 |
| Rmerge | 0.123 | 0.409 |
| Number of reflections | 1002427 | |
| <I/σ(I)> | 5 | 2 |
| Completeness [%] | 94.5 | 92.4 |
| Redundancy | 2.3 | 2.4 |
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 |
