2HG3
Reaction centre from Rhodobacter sphaeroides strain R-26.1 complexed with brominated phosphatidylcholine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-01-17 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.87 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 139.844, 139.844, 184.335 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.350 - 2.700 |
R-factor | 0.16624 |
Rwork | 0.164 |
R-free | 0.19944 |
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Starting model (for MR) | Unpublished structure of reaction centre at 1.95A resolution |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 | 1.856 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.360 | 2.850 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.082 | 0.629 |
Number of reflections | 57840 | |
<I/σ(I)> | 14.6 | 2.6 |
Completeness [%] | 99.9 | 100 |
Redundancy | 5.8 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | Potassium phosphate, LDAO, 1,2,3-heptanetriol, dioxane, Tris-HCl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 16.0K |