6B39
AprA Methyltransferase 1 - GNAT in complex with SAH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 42 2 2 |
| Unit cell lengths | 152.871, 152.871, 95.169 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.342 - 2.392 |
| R-factor | 0.1897 |
| Rwork | 0.188 |
| R-free | 0.23500 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.929 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SOLVE |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.342 | 48.342 | 2.540 |
| High resolution limit [Å] | 2.390 | 7.110 | 2.390 |
| Rmerge | 0.105 | 0.031 | 1.768 |
| Rmeas | 0.113 | 0.033 | 1.902 |
| Total number of observations | 305308 | ||
| Number of reflections | 42220 | 1690 | 6846 |
| <I/σ(I)> | 11.78 | 49.68 | 0.8 |
| Completeness [%] | 93.7 | 88.2 | 95.9 |
| Redundancy | 7.231 | 7.196 | 7.3 |
| CC(1/2) | 0.998 | 0.999 | 0.349 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 2.4 M ammonium sulfate, 0.1 M Tris, pH 8.5 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 2.4 M ammonium sulfate, 0.1 M Tris, pH 8.5 |
