5THY
Crystal structure of SeMet-Substituted CurJ carbon methyltransferase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.350, 130.390, 62.830 |
| Unit cell angles | 90.00, 111.98, 90.00 |
Refinement procedure
| Resolution | 44.836 - 2.087 |
| R-factor | 0.171 |
| Rwork | 0.169 |
| R-free | 0.21550 |
| Structure solution method | SAD |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.598 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | PHENIX ((1.10_2155)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.840 | 2.140 | |
| High resolution limit [Å] | 2.087 | 9.330 | 2.090 |
| Rmerge | 0.163 | 0.053 | 1.500 |
| Number of reflections | 84469 | ||
| <I/σ(I)> | 8.25 | 25.74 | 1.66 |
| Completeness [%] | 99.6 | 96.3 | 99.6 |
| Redundancy | 10.8 | ||
| CC(1/2) | 0.995 | 0.995 | 0.409 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.37 M NaCitrate, 1 mM GSH/GSSG, 5% Acetone |
