6D6Y
AprA Methyltransferase 2 - GNAT didomain 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 | 2016-11-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0332 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 151.395, 54.206, 109.300 |
Unit cell angles | 90.00, 131.81, 90.00 |
Refinement procedure
Resolution | 48.861 - 2.246 |
R-factor | 0.177 |
Rwork | 0.174 |
R-free | 0.23050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5THY & 2REE |
RMSD bond length | 0.008 |
RMSD bond angle | 0.983 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX (1.10.1) |
Refinement software | PHENIX (1.10.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.861 | 48.861 | 2.380 |
High resolution limit [Å] | 2.246 | 6.680 | 2.246 |
Rmerge | 0.090 | 0.039 | 0.998 |
Rmeas | 0.099 | 0.043 | 1.086 |
Number of reflections | 60876 | 1246 | 5017 |
<I/σ(I)> | 12.09 | 36.22 | 1.6 |
Completeness [%] | 98.4 | 96 | 97.8 |
Redundancy | 6.067 | 5.627 | 6.356 |
CC(1/2) | 0.998 | 0.999 | 0.720 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.01-0.05 M trimethylamine N-oxide, 12-17% PEG8000, 0.12 M Tris, pH 7.5 |