2BOW
MULTIDRUG-BINDING DOMAIN OF TRANSCRIPTION ACTIVATOR BMRR IN COMPLEX WITH A LIGAND, TETRAPHENYLPHOSPHONIUM
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 82.600, 82.600, 104.200 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 16.000 - 2.800 |
| R-factor | 0.235 |
| R-free | 0.32600 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bow |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.720 |
| Data reduction software | bioteX |
| Data scaling software | bioteX |
| Phasing software | EPMR |
| Refinement software | TNT (5D) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.200 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.083 * | |
| Total number of observations | 24335 * | |
| Number of reflections | 5322 | |
| <I/σ(I)> | 14.7 | 3.8 |
| Completeness [%] | 95.0 | 90 |
| Redundancy | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6.5 | pH 6.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | TPP | 10 (mM) | |
| 2 | 1 | 1 | ammonium sulfate | 1.5 (M) | |
| 3 | 1 | 1 | sodium cacodylate | 0.1 (M) | pH6.5 |
| 4 | 1 | 1 | MPD | 5 (%) |
