4ZYS
Crystal structure of an exotoxin 6 (SAV0422) from Staphylococcus aureus subsp. aureus Mu50 at 2.25 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-02-03 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.95369,0.97937,0.97913 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.120, 64.020, 98.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.328 - 2.250 |
R-factor | 0.193 |
Rwork | 0.191 |
R-free | 0.24040 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.130 |
Data reduction software | XDS |
Data scaling software | XSCALE (November 3, 2014 BUILT=20141118) |
Phasing software | SHELX |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.328 | 29.328 | 2.330 |
High resolution limit [Å] | 2.250 | 4.830 | 2.250 |
Rmerge | 0.092 | 0.037 | 0.485 |
Rmeas | 0.124 | 0.051 | 0.661 |
Total number of observations | 67264 | ||
Number of reflections | 19266 | 3634 | 2641 |
<I/σ(I)> | 7.14 | 16 | 1.5 |
Completeness [%] | 95.2 | 97 | 73.1 |
Redundancy | 1.921 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 30% polyethylene glycol 6000, 0.1M citric acid pH 5.0 |