5EJA
EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 2 min and soaked with isochorismate for 7 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 | 2015-09-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 |
| Unit cell lengths | 90.610, 90.660, 169.458 |
| Unit cell angles | 76.03, 83.39, 64.41 |
Refinement procedure
| Resolution | 50.517 - 1.600 |
| R-factor | 0.1709 |
| Rwork | 0.170 |
| R-free | 0.19340 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.972 |
| 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] | 50.620 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.070 | 0.303 |
| Number of reflections | 583261 | |
| <I/σ(I)> | 6.9 | 2.4 |
| Completeness [%] | 93.6 | 93.4 |
| 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 |
