6XRU
GTP-specific succinyl-CoA synthetase complexed with desulfo-coenzyme A, magnesium ions and succinates
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-03-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.041, 81.246, 50.386 |
| Unit cell angles | 90.00, 104.59, 90.00 |
Refinement procedure
| Resolution | 48.760 - 1.400 |
| R-factor | 0.1698 |
| Rwork | 0.169 |
| R-free | 0.18420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cae |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_3885) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.760 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.049 | 0.990 |
| Rpim | 0.046 | 0.891 |
| Number of reflections | 130787 | 6088 |
| <I/σ(I)> | 8.2 | 0.3 |
| Completeness [%] | 99.3 | 93.1 |
| Redundancy | 3 | |
| CC(1/2) | 0.964 | 0.547 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | 20% (w/v) P3350, 100 mM MES pH 6.3, 120 mM ammonium succinate pH 7.0 |
