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 |