7XLF
Crystal structure of CH3-THF complex of methylenetetrahydrofolate reductase from Sphingobium sp. SYK-6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 95 |
Detector technology | PIXEL |
Collection date | 2018-09-23 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.127, 170.347, 45.151 |
Unit cell angles | 90.00, 104.55, 90.00 |
Refinement procedure
Resolution | 38.880 - 1.850 |
R-factor | 0.1825 |
Rwork | 0.181 |
R-free | 0.21720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7xg9 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.927 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.700 | 1.890 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.101 | 0.853 |
Rpim | 0.064 | 0.537 |
Number of reflections | 46088 | 2827 |
<I/σ(I)> | 14.3 | |
Completeness [%] | 100.0 | |
Redundancy | 6.8 | |
CC(1/2) | 0.998 | 0.727 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 277.15 | 20% (w/v) PEG 4000, 0.1 M sodium citrate pH 4.5 |