6X7M
LnmK in complex with 2-nitronate-propionyl-oxa(dethia)-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 | 61.550, 61.550, 308.805 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.380 - 1.610 |
R-factor | 0.1918 |
Rwork | 0.190 |
R-free | 0.22660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hzo |
RMSD bond length | 0.011 |
RMSD bond angle | 1.989 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.670 |
High resolution limit [Å] | 1.610 | 1.610 |
Rmerge | 0.081 | 1.000 |
Rmeas | 0.083 | 0.999 |
Rpim | 0.020 | 0.349 |
Number of reflections | 46465 | 4527 |
<I/σ(I)> | 87.3 | 1.5 |
Completeness [%] | 99.7 | 99.5 |
Redundancy | 20 | 16.8 |
CC(1/2) | 0.998 | 0.832 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.75 M ammonium sulfate, 33 mM HEPES pH 7.0, 67 mM HEPES 8.0, 9% PEG 400 |