6X7O
LnmK in complex with 2-sulfonate-propionyl-CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 80 |
Detector technology | IMAGE PLATE |
Collection date | 2016-02-17 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 0.97856 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 61.110, 61.110, 312.261 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 1.550 |
R-factor | 0.177 |
Rwork | 0.175 |
R-free | 0.20900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hzo |
RMSD bond length | 0.013 |
RMSD bond angle | 1.999 |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.610 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.088 | 1.352 |
Number of reflections | 51831 | 5079 |
<I/σ(I)> | 101.3 | 1.7 |
Completeness [%] | 99.9 | 100 |
Redundancy | 20.3 | 17.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 3% PEG400, 67 mM Bis-Tris pH 6.5, 33 mM Bis-Tris pH 7.5, 28% PEG3350 |