5GP9
Structural analysis of fatty acid degradation regulator FadR from Bacillus halodurans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97933 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 56.873, 56.873, 200.884 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.689 - 1.755 |
| R-factor | 0.2028 |
| Rwork | 0.201 |
| R-free | 0.23540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vi0 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.018 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 4.750 | 1.750 |
| Rmerge | 0.057 | 0.039 | 0.556 |
| Rmeas | 0.061 | 0.042 | 0.608 |
| Rpim | 0.022 | 0.016 | 0.239 |
| Total number of observations | 291359 | ||
| Number of reflections | 38629 | ||
| <I/σ(I)> | 14 | ||
| Completeness [%] | 98.6 | 92.9 | 83 |
| Redundancy | 7.5 | 7.1 | 5.9 |
| CC(1/2) | 0.998 | 0.890 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 296 | Tris-HCl, MgCl2, PEG 3350 |
