4HBJ
Bacterial Photosynthetic Reaction Center from Rhodobacter sphaeroides with ILE M265 replaced with GLN
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-04 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 139.540, 139.540, 185.070 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.867 - 2.740 |
R-factor | 0.191 |
Rwork | 0.189 |
R-free | 0.22300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pcr |
RMSD bond length | 0.022 |
RMSD bond angle | 2.380 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.867 | 2.810 | |
High resolution limit [Å] | 2.740 | 12.250 | 2.740 |
Rmerge | 0.123 | 0.048 | 0.758 |
Number of reflections | 54952 | ||
<I/σ(I)> | 12.24 | 27.3 | 2.7 |
Completeness [%] | 99.4 | 72.6 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | drop: 14 mg/mL protein, 0.8 M Potassium Phosphate, 5 mM Tris, 5 uM EDTA, 3.6% 1,2,3-heptanetriol, 2.0% dioxane, 140 mM sodium chloride, 0.045% LDAO, reservoir: 1.6 M potassium phosphate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |