6X7L
LnmK in complex with 2-nitronate-propionyl-CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 80 |
| Detector technology | IMAGE PLATE |
| Collection date | 2016-02-17 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 60.975, 60.975, 310.859 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.940 - 1.770 |
| R-factor | 0.1657 |
| Rwork | 0.164 |
| R-free | 0.19900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hzo |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.844 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.830 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.079 | 0.257 |
| Rmeas | 0.081 | |
| Rpim | 0.018 | |
| Total number of observations | 709330 | |
| Number of reflections | 34783 | 3310 |
| <I/σ(I)> | 11.1 | 14.583 |
| Completeness [%] | 99.7 | 98.3 |
| Redundancy | 20.4 | 20.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 150 mM lithium sulfate, 100 mM Bis-Tris pH 7.0, 28% PEG 3350 |
