3UE9
Crystal structure of Adenylosuccinate synthetase (AMPSase) (purA) from Burkholderia thailandensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-19 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.541780 |
| Spacegroup name | P 1 |
| Unit cell lengths | 61.880, 74.590, 112.660 |
| Unit cell angles | 109.35, 90.01, 103.19 |
Refinement procedure
| Resolution | 50.000 - 1.950 |
| R-factor | 0.203 |
| Rwork | 0.201 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hid |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.441 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 | |
| High resolution limit [Å] | 1.950 | 8.720 | 1.950 |
| Rmerge | 0.079 | 0.035 | 0.442 |
| Number of reflections | 129329 | 1454 | 9047 |
| <I/σ(I)> | 14.14 | 44.4 | 3 |
| Completeness [%] | 96.1 | 96.6 | 90.8 |
| Redundancy | 5.1 | 3.77 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | Internal tracking number 226144E11. JCSG screen condition E11: 14.4% PEG 8000 20% v/v glycerol 80 mM Cacodylate pH 6.5 160 mM Calcium acetate ButhA.00888.a.A1 PW33408 at 32.28 mg/ml., vapor diffusion, sitting drop, temperature 290K |
