3SZ6
IsdX1, an anthrax hemophore
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-06-18 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.97929 |
Spacegroup name | P 1 |
Unit cell lengths | 36.637, 43.659, 47.408 |
Unit cell angles | 99.24, 96.53, 107.35 |
Refinement procedure
Resolution | 25.574 - 1.800 |
R-factor | 0.2113 |
Rwork | 0.209 |
R-free | 0.23420 |
Structure solution method | SAD |
RMSD bond length | 0.002 |
RMSD bond angle | 0.566 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.100 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 24541 | |
Completeness [%] | 97.2 | 94.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 298 | 2 M NaCl, 0.1 M citric acid (pH 3.5) , VAPOR DIFFUSION, HANGING DROP, temperature 298K |