2WX5
Hexa-coordination of a bacteriochlorophyll cofactor in the Rhodobacter sphaeroides reaction centre
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.1 |
| Synchrotron site | SRS |
| Beamline | PX14.1 |
| Temperature [K] | 100 |
| Collection date | 2004-11-12 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 140.180, 140.180, 185.401 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.400 - 2.630 |
| R-factor | 0.23941 |
| Rwork | 0.237 |
| R-free | 0.27866 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aig |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.223 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.540 | 2.780 |
| High resolution limit [Å] | 2.630 | 2.630 |
| Rmerge | 0.100 | 0.700 |
| Number of reflections | 61876 | |
| <I/σ(I)> | 8.2 | 1.5 |
| Completeness [%] | 98.6 | 94.9 |
| Redundancy | 4.9 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | MOTHER LIQUOR AT 9 MG/ML OF THE AM149W REACTION CENTRE, 0.09% V/V LDAO, 3.5% W/V HEPTANE-1, 2,3-TRIOL AND 0.65 M POTASSIUM PHOSPHATE (PH 8.0) WERE EQUILIBRATED AGAINST A RESERVOIR SOLUTION OF 1.5 M POTASSIUM PHOSPHATE |
