5HS5
Crystal structure of Staphylococcus aureus SarX
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-10-24 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9791 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 56.170, 56.170, 153.100 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.400 - 2.550 |
R-factor | 0.23121 |
Rwork | 0.228 |
R-free | 0.28118 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.558 |
Phasing software | PHENIX |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.690 |
High resolution limit [Å] | 2.550 | 2.550 |
Rmerge | 0.451 | |
Number of reflections | 9620 | |
<I/σ(I)> | 19.7 | 5.8 |
Completeness [%] | 99.2 | 99.6 |
Redundancy | 15.1 | 14.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 289 | 0.01 M Iron (III) chloride hexahydrate, 0.1 M Sodium citrate tribasic dihydrate,10%(v/v) Jeffamine M-600 |