7UCH
AprA Methyltransferase 1 - GNAT in complex with Mn2+ , SAM, and Di-methyl-malonate
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 | 2017-11-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.033 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.572, 88.283, 135.982 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.230 - 2.180 |
R-factor | 0.1955 |
Rwork | 0.193 |
R-free | 0.24110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6b3a |
RMSD bond length | 0.007 |
RMSD bond angle | 0.900 |
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] | 45.230 | 2.259 |
High resolution limit [Å] | 2.180 | 2.181 |
Number of reflections | 38749 | 3805 |
<I/σ(I)> | 7.37 | 1.18 |
Completeness [%] | 99.9 | 99.42 |
Redundancy | 10.6 | |
CC(1/2) | 0.995 | 0.495 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 11mg/mL protein in 50mM Tris pH7.4, 50mM NaCl, 10%(V/V) glycerol, 1mM S-adenosyl-L-homocysteine (SAH), and 5mM MnCl2. Well solution: 15% PEG 3350, 0.1M di-methyl-malonate Protein to well solution ratio is 2:2 |