5ESO
Crystal Structure of M. tuberculosis MenD with ThDP, Mg2+ and Isochorismate bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2013-10-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 101.444, 139.592, 181.768 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.810 - 2.050 |
R-factor | 0.193 |
Rwork | 0.192 |
R-free | 0.21900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.725 |
Data scaling software | Aimless (0.2.8) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.810 | 2.090 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.118 | 2.616 |
Number of reflections | 161660 | |
<I/σ(I)> | 17.5 | 1.2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 14.2 | 14.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 10% PEG 4K, 20% Glycerol, 0.02M CA, pH 7.5 (MORPHEUS G7) [CA= carboxylic acid mix, buffer=MOPS/HEPES-Na] |