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 |
