5EJ6
EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 2min then soaked with isochorismate 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 | 2015-06-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 |
| Unit cell lengths | 90.480, 90.510, 171.640 |
| Unit cell angles | 83.02, 75.85, 64.33 |
Refinement procedure
| Resolution | 34.888 - 2.243 |
| R-factor | 0.196 |
| Rwork | 0.194 |
| R-free | 0.24110 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.156 |
| 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] | 34.890 | 2.320 |
| High resolution limit [Å] | 2.240 | 2.240 |
| Rmerge | 0.120 | 0.213 |
| Number of reflections | 213686 | |
| <I/σ(I)> | 6.7 | 3.9 |
| Completeness [%] | 93.7 | 82.7 |
| Redundancy | 2.5 | 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 |
