3D6Z
Crystal structure of R275E mutant of BMRR bound to DNA and rhodamine
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 | 2004-07-25 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9789 |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 106.500, 106.500, 146.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.400 - 2.600 |
| R-factor | 0.226 |
| Rwork | 0.226 |
| R-free | 0.26300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r8e |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.400 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.054 | 0.511 |
| Number of reflections | 26429 | |
| <I/σ(I)> | 18.2 | 3.7 |
| Completeness [%] | 99.7 | 99.6 |
| Redundancy | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | SODIUM MALONATE, JEFFAMINE-M600, pH 7.00, 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 |
