6JRQ
Crystal structure of adenylosuccinate synthetase, PurA, from Thermus thermophilus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-07 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 147.850, 106.390, 114.530 |
| Unit cell angles | 90.00, 96.32, 90.00 |
Refinement procedure
| Resolution | 34.470 - 2.100 |
| R-factor | 0.18549 |
| Rwork | 0.183 |
| R-free | 0.22636 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dj3 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.864 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.2.8) |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.470 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.066 | 0.167 |
| Rmeas | 0.082 | 0.206 |
| Rpim | 0.048 | 0.119 |
| Number of reflections | 101788 | 5002 |
| <I/σ(I)> | 14 | 2.9 |
| Completeness [%] | 99.2 | 98.6 |
| Redundancy | 5.7 | 5.7 |
| CC(1/2) | 0.969 | 0.970 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 293 | PEG 8000, Ethylene Glycol, 0.1M MES |
