5K7Z
Crystal structure of AibR in complex with isovaleryl coenzyme A and operator DNA
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 | 2016-03-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 164.711, 164.711, 203.275 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.570 - 2.920 |
| R-factor | 0.21 |
| Rwork | 0.208 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5k7f |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.509 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.578 | 3.100 |
| High resolution limit [Å] | 8.620 | 2.920 |
| Rmerge | 0.034 | 1.601 |
| <I/σ(I)> | 58.86 | 1.81 |
| Completeness [%] | 98.6 | 99.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 35% 2-ethoxyethanol, 0.1 M imidazole pH 7.8 and 0.05 M calcium acetate |
