4OFQ
Structure of the C-terminal domain of the Streptococcus pyogenes antigen I/II-family protein AspA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR-H |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-01-21 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.5417 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 99.002, 104.979, 74.442 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.669 - 1.800 |
R-factor | 0.1839 |
Rwork | 0.181 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3OPU and 2WOY |
RMSD bond length | 0.007 |
RMSD bond angle | 1.045 |
Data reduction software | SAINT |
Data scaling software | SADABS |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.670 | 1.863 |
High resolution limit [Å] | 1.798 | 1.798 |
Rmerge | 0.062 | 0.411 |
Number of reflections | 70996 | |
<I/σ(I)> | 3.2 | |
Completeness [%] | 97.6 | 82.7 |
Redundancy | 10.8 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 20% glycerol ethoxylate, 10% tetrahydrofuran, 0.1 M Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |