5X13
Crystal structure of Bacillus subtilis PadR in complex with p-coumaric acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
| Synchrotron site | PAL/PLS |
| Beamline | 7A (6B, 6C1) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-15 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.00004 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 76.514, 75.450, 38.125 |
| Unit cell angles | 90.00, 96.10, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.700 |
| R-factor | 0.16925 |
| Rwork | 0.168 |
| R-free | 0.19533 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5x12 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.562 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.049 | 0.224 |
| Number of reflections | 23666 | |
| <I/σ(I)> | 40.2 | |
| Completeness [%] | 99.7 | |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 291 | 10 mM p-coumaric acid, 22% PEG 3350, 0.1 M sodium acetate |
