3WHC
Crystal structure of a transcriptional regulator FadR from Bacillus subtilis in complex with stearoyl-CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 70.305, 88.762, 199.952 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.200 |
R-factor | 0.2403 |
Rwork | 0.239 |
R-free | 0.27110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3whb |
RMSD bond length | 0.005 |
RMSD bond angle | 0.963 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (refmac_5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.040 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.076 | 0.256 |
Number of reflections | 61396 | |
<I/σ(I)> | 21.1 | |
Completeness [%] | 95.1 | 86.9 |
Redundancy | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 9 | 293 | 25%(w/v) polyethyleneglycol 3350, 200mM lithium sulfate, 100mM Tris-Cl (pH 9) , VAPOR DIFFUSION, temperature 293K |