1KKB
Complex of Escherichia coli Adenylosuccinate Synthetase with IMP and Hadacidin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | SIEMENS |
Temperature [K] | 120 |
Detector technology | AREA DETECTOR |
Collection date | 1998-01-01 |
Detector | SIEMENS |
Wavelength(s) | 1.54178 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 80.120, 80.120, 158.670 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 5.000 - 2.600 |
R-factor | 0.18 * |
Rwork | 0.180 |
R-free | 0.29000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 24.300 * |
Data reduction software | X-GEN |
Data scaling software | X-GEN |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.900 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.120 * | |
Total number of observations | 121026 * | |
Number of reflections | 22708 | |
Completeness [%] | 91.0 | 90 |
Redundancy | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 * | 293 | PEG 8000, HEPES, IMP, Hadacidin, magnesium acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | HEPES | 30 (mM) | |
2 | 1 | drop | pyrophosphate | 2 (mM) | |
3 | 1 | drop | IMP | 4 (mM) | |
4 | 1 | drop | hadacidin | 4 (mM) | |
5 | 1 | drop | protein | 18 (mg/ml) | pH6.8 |
6 | 1 | reservoir | PEG8000 | 16 (%(w/v)) | |
7 | 1 | reservoir | cacodylic acid | 100 (mM) | or sodium cacodylate |
8 | 1 | reservoir | magnesium acetate | 100 (mM) |