7MSR
Human E105Qa GTP-specific succinyl-CoA synthetase complexed with succinyl-phosphate, magnesium ion and desulfo-coenzyme A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-10 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.436, 81.452, 54.331 |
| Unit cell angles | 90.00, 103.37, 90.00 |
Refinement procedure
| Resolution | 39.130 - 1.580 |
| R-factor | 0.2007 |
| Rwork | 0.199 |
| R-free | 0.22130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6xru |
| Data reduction software | DIALS |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 56.430 | 56.470 | 1.610 |
| High resolution limit [Å] | 1.580 | 4.290 | 1.580 |
| Rmeas | 0.071 | 0.040 | 2.117 |
| Rpim | 0.038 | 0.020 | 1.131 |
| Total number of observations | 320245 | 17620 | 15206 |
| Number of reflections | 92537 | 4785 | 4486 |
| <I/σ(I)> | 9.5 | 47.8 | 0.3 |
| Completeness [%] | 99.2 | 100 | 96.4 |
| Redundancy | 3.5 | 3.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | 22.5% (w/v) PEG3350, 100 mM ammonium succinate pH 7.5, 100 mM Tris-HCl pH 7.4 |
