1CIB
STRUCTURE OF ADENYLOSUCCINATE SYNTHETASE FROM E. COLI COMPLEXED WITH GDP, IMP, HADACIDIN, AND NO3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | SIEMENS |
| Temperature [K] | 120 |
| Detector technology | AREA DETECTOR |
| Collection date | 1997-02-01 |
| Detector | SIEMENS |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 80.600, 80.600, 158.500 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 6.000 - 2.300 |
| R-factor | 0.17 |
| Rwork | 0.170 |
| R-free | 0.24000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gim |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.780 |
| 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] | 50.000 | 2.400 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.085 | |
| Total number of observations | 154316 * | |
| Number of reflections | 29374 | |
| Completeness [%] | 97.0 * | 93 * |
| Redundancy | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 | 16% PEG 8000, 100MM NA-CACODYLATE (PH 6.5) |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | HEPES | 30 (mM) | |
| 2 | 1 | drop | IMP | 4 (mM) | |
| 3 | 1 | drop | hadacidin | 4 (mM) | |
| 4 | 1 | drop | GDP | 4 (mM) | or 0 mM |
| 5 | 1 | drop | protain | 18 (mg/ml) | |
| 6 | 1 | reservoir | PEG8000 | 16 (%(w/v)) | |
| 7 | 1 | reservoir | sodium cacodylate | 100 (mM) | |
| 8 | 1 | reservoir | magnesium nitrate | 100 (mM) |
