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 |