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 |