5W71
X-ray structure of BtrR from Bacillus circulans in the presence of the 2-DOS external aldimine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-12-14 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.400, 74.800, 180.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.19223 |
| Rwork | 0.190 |
| R-free | 0.23893 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c7t |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.669 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.074 | 0.382 |
| Number of reflections | 54841 | 6774 |
| <I/σ(I)> | 7.4 | 2.1 |
| Completeness [%] | 98.7 | 95 |
| Redundancy | 6.3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 15-17% PEG-5000, 200 mM NaCl, 100 mM MOPS, 1 mM PLP, 5 mM 2-DOS |
