7P82
Crystal structure of apo form L147A/I351A variant of S-adenosylmethionine synthetase from Methanocaldococcus jannaschii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-03 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 75.641, 75.641, 281.618 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.958 - 2.042 |
R-factor | 0.2053 |
Rwork | 0.204 |
R-free | 0.24980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4l7i |
RMSD bond length | 0.003 |
RMSD bond angle | 0.677 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.960 | 2.170 |
High resolution limit [Å] | 2.040 | 2.040 |
Rmeas | 0.165 | 0.849 |
Number of reflections | 59592 | 8708 |
<I/σ(I)> | 10.99 | 1.92 |
Completeness [%] | 98.3 | 90.4 |
Redundancy | 16.07 | 11.77 |
CC(1/2) | 0.997 | 0.882 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293.15 | 0.1 M sodium acetate pH 4.6, 40% (v/v) PEG200 |