8JZI
Mutant S-adenosylmethionine synthase from C. glutamicum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2023-04-29 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97934 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 150.404, 125.436, 116.310 |
Unit cell angles | 90.00, 128.91, 90.00 |
Refinement procedure
Resolution | 31.550 - 1.760 |
R-factor | 0.18393 |
Rwork | 0.182 |
R-free | 0.21780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3tde |
RMSD bond length | 0.011 |
RMSD bond angle | 1.684 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.790 |
High resolution limit [Å] | 1.760 | 4.780 | 1.760 |
Rmerge | 0.226 | 0.216 | 0.345 |
Rmeas | 0.265 | 0.256 | 0.414 |
Rpim | 0.137 | 0.136 | 0.225 |
Total number of observations | 605841 | ||
Number of reflections | 164669 | 8212 | 7832 |
<I/σ(I)> | 12.1 | ||
Completeness [%] | 99.4 | 97.3 | 94.9 |
Redundancy | 3.7 | 3.4 | 3.1 |
CC(1/2) | 0.814 | 0.807 | 0.812 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | PEG 20000, MES pH 6.5 |