1K0E
THE CRYSTAL STRUCTURE OF AMINODEOXYCHORISMATE SYNTHASE FROM FORMATE GROWN CRYSTALS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-BM |
Synchrotron site | APS |
Beamline | 17-BM |
Temperature [K] | 115 |
Detector technology | CCD |
Collection date | 2000-11-17 |
Detector | MARRESEARCH |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 111.992, 185.718, 45.077 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.000 |
R-factor | 0.206 |
R-free | 0.31500 * |
Structure solution method | MAD |
RMSD bond length | 0.021 |
RMSD bond angle | 0.061 |
Data scaling software | d*TREK |
Phasing software | SHELXD |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.080 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.100 | 0.208 |
Total number of observations | 269253 * | |
Number of reflections | 55584 | |
<I/σ(I)> | 11.5 | 4.8 |
Completeness [%] | 91.2 | 90.4 |
Redundancy | 5. * | 3. * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 * | 298 | 0.1M sodium acetate buffer, 2.0M sodium formate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K (PROTEIN SOLUTION: 50mM MOPS pH 7.5, 50mM KCL, 5mM MG CL2, 2 mM DTT, 40.2 MG/ML PROTEIN. WELL SOLUTION: 0.1 M NA ACETATE pH 4.6, 2.0 M NA FORMATE) |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | MOPS pH 7.5 | ||
2 | 1 | 1 | KCL | ||
3 | 1 | 1 | MG CL2 | ||
4 | 1 | 1 | DTT | ||
5 | 1 | 2 | NA ACETATE | ||
6 | 1 | 2 | NA FORMATE |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 40.2 (mg/ml) | |
2 | 1 | drop | MOPS | 50 (mM) | pH7.4 |
3 | 1 | drop | 50 (mM) | ||
4 | 1 | drop | 5 (mM) | ||
5 | 1 | drop | dithiothreitol | 2 (mM) | |
6 | 1 | reservoir | sodium acetate | 0.1 (M) | pH4.6 |
7 | 1 | reservoir | sodium formate | 2.0 (M) |