3S7N
Crystal Structure of the alternate His 207 conformation of the Infrared Fluorescent D207H variant of Deinococcus Bacteriophytochrome chromophore binding domain at 2.45 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-10 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 96.413, 52.808, 74.801 |
| Unit cell angles | 90.00, 113.13, 90.00 |
Refinement procedure
| Resolution | 30.520 - 2.451 |
| R-factor | 0.17772 |
| Rwork | 0.174 |
| R-free | 0.23644 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2o9c |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.245 |
| 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] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.074 | 0.452 |
| Number of reflections | 11526 | |
| <I/σ(I)> | 23 | 1.45 |
| Completeness [%] | 89.5 | 37.5 |
| Redundancy | 6.6 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 15% v/v PEG 4000, 20% v/v isopropanol, 0.1M sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
