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 |