4M9D
The Crystal structure of an adenylosuccinate synthetase from Bacillus anthracis str. Ames Ancestor in complex with AMP.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-08-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97860 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 128.045, 255.947, 61.131 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.500 - 1.821 |
| R-factor | 0.1546 |
| Rwork | 0.153 |
| R-free | 0.18170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4m0g |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.071 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.000 | 1.850 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.087 | 0.687 |
| Number of reflections | 90138 | |
| <I/σ(I)> | 25.2 | 2.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.2 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 289 | 0.1M Sodium Malonate, 12% (w/v) PEG 3350, 15mM AMP, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
