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 |