2I58
Crystal Structure of RafE from Streptococcus pneumoniae complexed with raffinose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | OTHER |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-05-26 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.214, 119.435, 146.326 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.270 - 2.800 |
Rwork | 0.211 |
R-free | 0.29600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2 models: 2HQ0 residues 1-114 and 278-327 and 2HQ0 residues 115-277 and 328-387 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.756 |
Data reduction software | d*TREK |
Data scaling software | d*TREK (9.5L) |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.210 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.171 | 0.461 |
Total number of observations | 13379 | |
Number of reflections | 20180 | |
<I/σ(I)> | 7 | 2.7 |
Completeness [%] | 91.5 | 98.1 |
Redundancy | 6.59 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 25.5% PEG4000 0.085M Ammonium sulfate, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |