5IJ6
Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-1) in complex with lipoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-01 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.011, 70.912, 106.466 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.470 - 2.000 |
| R-factor | 0.1793 |
| Rwork | 0.178 |
| R-free | 0.20700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5iby |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.174 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | PHASER (2.5.2) |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.440 | 39.440 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.720 | 2.000 |
| Rmerge | 0.145 | 0.071 | 0.593 |
| Rmeas | 0.154 | 0.076 | 0.629 |
| Rpim | 0.052 | 0.027 | 0.208 |
| Total number of observations | 240100 | 2924 | 19150 |
| Number of reflections | 27879 | ||
| <I/σ(I)> | 9.1 | 16 | 3.3 |
| Completeness [%] | 100.0 | 99.1 | 100 |
| Redundancy | 8.6 | 7.3 | 8.9 |
| CC(1/2) | 0.994 | 0.990 | 0.918 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 289 | 0.5 UL PROTEIN + 0.5 UL BUFFER (30% PEG 4K, 0.2 M LITHIUM SULFATE, 0.1 M Tris HCl, PH 8.5) |
