6SF7
Atomic resolution structure of SplF protease from Staphylococcus aureus
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 | 2011-05-16 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 |
Unit cell lengths | 56.000, 58.580, 62.300 |
Unit cell angles | 104.57, 95.31, 90.60 |
Refinement procedure
Resolution | 29.840 - 1.700 |
R-factor | 0.1694 |
Rwork | 0.167 |
R-free | 0.20780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4VID |
RMSD bond length | 0.017 |
RMSD bond angle | 2.050 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.047 | 0.110 |
Number of reflections | 77687 | 10882 |
<I/σ(I)> | 6.4 | 13.9 |
Completeness [%] | 92.6 | 88.8 |
Redundancy | 3.6 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 32.5 % PEG 400, 0.3 M Ammonium Sulphate pH = 3.5 |