5EJ9
EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 2 min and isochorismate for 13 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 | 90.720, 90.720, 169.470 |
Unit cell angles | 76.06, 83.35, 64.38 |
Refinement procedure
Resolution | 39.961 - 1.720 |
R-factor | 0.1522 |
Rwork | 0.151 |
R-free | 0.18200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2jlc |
RMSD bond length | 0.007 |
RMSD bond angle | 1.067 |
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] | 41.850 | 1.750 |
High resolution limit [Å] | 1.720 | 1.720 |
Rmerge | 0.048 | 0.156 |
Number of reflections | 487194 | |
<I/σ(I)> | 8.1 | 3.1 |
Completeness [%] | 96.5 | 91.2 |
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 |