4D8E
High resolution structures of monomeric S. pyogenes SpeB reveals role of glycine-rich active site loop
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-03-11 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.97945 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 114.606, 50.675, 37.384 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.541 - 1.497 |
R-factor | 0.1596 |
Rwork | 0.158 |
R-free | 0.18770 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.020 |
RMSD bond angle | 1.854 |
Data reduction software | MOSFLM |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.541 | 1.580 | 1.530 |
High resolution limit [Å] | 1.497 | 1.550 | 1.497 |
Rmerge | 0.100 | 0.483 | 0.573 |
Number of reflections | 35933 | ||
<I/σ(I)> | 23.7 | 2.6 | 1.7 |
Completeness [%] | 99.6 | 99.5 | 95.5 |
Redundancy | 2.4 | 4.5 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.2 M Magnesium Nitrate, 20% PEG3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |