3UFX
Thermus aquaticus succinyl-CoA synthetase in complex with GDP-Mn2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-10-19 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.1159 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 261.700, 126.800, 110.600 |
| Unit cell angles | 90.00, 112.76, 90.00 |
Refinement procedure
| Resolution | 50.994 - 2.350 |
| R-factor | 0.2062 |
| Rwork | 0.204 |
| R-free | 0.24520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 1JKJ AND 1OI7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.041 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 200.000 | 200.000 | 2.390 |
| High resolution limit [Å] | 2.350 | 6.380 | 2.350 |
| Rmerge | 0.129 | 0.090 | 0.414 |
| Number of reflections | 120106 | ||
| <I/σ(I)> | 8.8 | ||
| Completeness [%] | 86.7 | 91.5 | 49.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 294 | 10% PEG3350, 100 mM MES, 200 mM potassium chloride, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
