1GSJ
Selenomethionine substituted N-acetyl-L-glutamate kinase from Escherichia coli complexed with its substrate n-acetyl-L-glutamate and its substrate analog AMPPNP
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X31 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1999-03-15 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.94, 0.9765, 0.9770 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 59.564, 72.332, 107.418 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.880 * - 1.850 |
R-factor | 0.1987 |
Rwork | 0.199 |
R-free | 0.22690 |
Structure solution method | MAD |
RMSD bond length | 0.005 * |
RMSD bond angle | 1.260 * |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.800 | 1.920 |
High resolution limit [Å] | 1.820 | 1.820 |
Rmerge | 0.059 | 0.281 |
Total number of observations | 106899 * | |
Number of reflections | 20642 | |
<I/σ(I)> | 11 | 2.5 |
Completeness [%] | 98.8 | 97.8 |
Redundancy | 5.2 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.6 | 27-32% PEG MONOMETHYLETHER 2000, 0.1-0.3M AMMONIUM SULFATE, 5% ETHYLENE GLYCOL, 0.1M SODIUM ACETATE PH 4.6 |