2HIT
Reaction centre from Rhodobacter sphaeroides strain R-26.1 complexed with dibrominated phosphatidylethanolamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Detector technology | CCD |
| Collection date | 2005-03-18 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91929 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 139.289, 139.289, 183.839 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.010 - 2.750 |
| R-factor | 0.18369 |
| Rwork | 0.182 |
| R-free | 0.22193 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Unpublished structure of reaction centre at 1.95A resolution |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.878 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.030 | 2.900 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.066 | 0.569 |
| Number of reflections | 54102 | |
| <I/σ(I)> | 23 | 4.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 10.9 | 11.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | Potassium phosphate, LDAO, 1,2,3-heptanetriol, 1,2,3-hexanetriol, dioxane, NaCl, Tris-HCl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 16.0K |
