3S7P
Crystal Structure of the Infrared Fluorescent D207H variant of Deinococcus Bacteriophytochrome chromophore binding domain at 1.72 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-08 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9785 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 87.072, 51.666, 80.228 |
| Unit cell angles | 90.00, 115.33, 90.00 |
Refinement procedure
| Resolution | 43.190 - 1.722 |
| R-factor | 0.16901 |
| Rwork | 0.168 |
| R-free | 0.19623 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2o9c |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.479 |
| 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 | 1.750 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.039 | 0.215 |
| Number of reflections | 33621 | |
| <I/σ(I)> | 31.12 | 5.53 |
| Completeness [%] | 98.5 | 97.3 |
| Redundancy | 3.8 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 14% v/v PEG 4000, 20% v/v isopropanol, 0.1M sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.K |
