8RXF
Crystal structure of S-SAD phased alpha-keto C-methyl transferase SgvM bound to ketoleucine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 2.07505 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 67.054, 67.054, 183.074 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 62.960 - 2.270 |
R-factor | 0.189 |
Rwork | 0.187 |
R-free | 0.22860 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 0.830 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | HKL2Map |
Refinement software | BUSTER (2.10.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 91.540 | 2.390 |
High resolution limit [Å] | 2.270 | 2.270 |
Rmerge | 0.129 | 1.534 |
Rmeas | 0.129 | 1.546 |
Rpim | 0.010 | 0.181 |
Number of reflections | 20302 | 2883 |
<I/σ(I)> | 50.6 | 3.1 |
Completeness [%] | 99.9 | |
Redundancy | 171.5 | |
CC(1/2) | 1.000 | 0.913 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 100 mM Tris/HCl pH 8.5, 250 mM Li2SO4, and 23% PEG 3350 |