3BGK
The crystal structure of hypothetic protein SMU.573 from Streptococcus mutans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-06-20 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 2.2909 |
Spacegroup name | I 4 |
Unit cell lengths | 96.527, 96.527, 56.260 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.500 |
R-factor | 0.21 |
Rwork | 0.208 |
R-free | 0.25600 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.070 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.053 | 0.078 |
Number of reflections | 8542 | |
<I/σ(I)> | 29.5 | 20.4 |
Completeness [%] | 94.0 | 69.7 |
Redundancy | 10.86 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 289 | 0.49M sodium phosphate monobasic monohydrate, 0.91M Potassium phosphate dibasic, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 289K |