7UCI
SxtA Methyltransferase and decarboxylase didomain in complex with Mn2+ and 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 | 2019-02-12 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.033 |
Spacegroup name | P 1 |
Unit cell lengths | 43.802, 69.668, 127.608 |
Unit cell angles | 86.44, 83.26, 83.95 |
Refinement procedure
Resolution | 42.430 - 2.600 |
R-factor | 0.2402 |
Rwork | 0.237 |
R-free | 0.29800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6b3a |
RMSD bond length | 0.003 |
RMSD bond angle | 0.651 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.430 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.126 | |
Number of reflections | 44788 | 4306 |
<I/σ(I)> | 8.57 | 1.39 |
Completeness [%] | 97.8 | 94.19 |
Redundancy | 3.6 | 3.5 |
CC(1/2) | 0.995 | 0.696 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.25 | 277 | 12-14mg/mL SxtA MT-DC in 50mM Tris pH7.4, 50mM NaCl, 10%(v/v) glycerol, 5mM S-adenosyl-L-methionine (SAM), and 5mM MnCl2. Well solution: 5-8% PEG 20K, and 0.1M MES pH 6.25-6.5 |