4QPV
Crystal structure of a DUF1672 family protein (SAV1486) from Staphylococcus aureus subsp. aureus Mu50 at 1.80 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-01-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9783,0.97898 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.545, 107.570, 112.814 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.513 - 1.800 |
R-factor | 0.1847 |
Rwork | 0.183 |
R-free | 0.21470 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 0.980 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (2.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.513 | 29.513 | 1.860 |
High resolution limit [Å] | 1.800 | 3.870 | 1.800 |
Rmerge | 0.040 | 0.010 | 0.010 |
Number of reflections | 65849 | 12436 | 11054 |
<I/σ(I)> | 15.53 | 51.4 | 1.1 |
Completeness [%] | 97.2 | 96.5 | 92.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 23.136% polyethylene glycol 4000, 0.170M ammonium acetate, 15.00% Glycerol, 4.00% (+)-1,3 Butanediol, 0.1M sodium acetate pH 5.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |