6HDW
Crystal structure of 2-Hydroxyisobutyryl-CoA Ligase (HCL) in the postadenylation state in complex with 2-HIB-AMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 83.871, 83.871, 219.811 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.080 - 2.300 |
| R-factor | 0.214 |
| Rwork | 0.213 |
| R-free | 0.24000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2y4n |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.980 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.580 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.107 | 0.963 |
| Number of reflections | 34983 | 5114 |
| <I/σ(I)> | 13.2 | 1.7 |
| Completeness [%] | 98.2 | 99.7 |
| Redundancy | 5 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.05 M MES PH 6.0, 2.1 M LITHIUM SULFATE, 0.01 M MAGNESIUM CHLORIDE, 1 MM ATP, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K |
