3D6Y
Crystal structure of R275E mutant of BMRR bound to DNA and berberine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-07-24 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9789 |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 106.330, 106.330, 146.750 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 86.100 - 2.700 |
| R-factor | 0.227 |
| Rwork | 0.227 |
| R-free | 0.25900 |
| Structure solution method | MIR |
| Starting model (for MR) | 1r8d |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | EPMR |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.100 | 2.840 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.068 | 0.647 |
| Number of reflections | 23429 | |
| <I/σ(I)> | 14.7 | 2.2 |
| Completeness [%] | 98.9 | 98.6 |
| Redundancy | 3.5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 1.0 M Sodium Malonate, 0.05% Jeffamine-M600, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Sodium Malonate | ||
| 2 | 1 | 2 | Sodium Malonate | ||
| 3 | 1 | 1 | Jeffamine-M600 | ||
| 4 | 1 | 2 | Jeffamine-M600 |
