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 |