8TQF
Crystal structure of Soybean SHMT8 in complex with PLP-glycine and diglutamylated 5-formyltetrahydrofolate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2023-05-28 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 86.208, 89.020, 146.190 |
Unit cell angles | 90.00, 90.54, 90.00 |
Refinement procedure
Resolution | 47.090 - 1.690 |
R-factor | 0.1856 |
Rwork | 0.184 |
R-free | 0.21390 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.007 |
RMSD bond angle | 0.996 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.410 | 1.720 |
High resolution limit [Å] | 1.690 | 1.690 |
Rmerge | 0.066 | 1.057 |
Rmeas | 0.091 | 0.091 |
Rpim | 0.062 | 0.975 |
Number of reflections | 238872 | 10106 |
<I/σ(I)> | 8.6 | 0.6 |
Completeness [%] | 96.9 | 82.9 |
Redundancy | 3.4 | 2.7 |
CC(1/2) | 0.997 | 0.314 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M Magnesium formate dihydrate, 13% PEG 3350 0.2 M Lithium sulfate, 0.1 M Hepes pH 7.5, 25% w/v PEG 3350 |