3SIK
Crystal structure of the Bacillus anthracis hemophore IsdX1 complexed with heme
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2011-05-01 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.00 |
Spacegroup name | P 43 |
Unit cell lengths | 64.978, 64.978, 74.211 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.489 - 2.149 |
R-factor | 0.1984 |
Rwork | 0.196 |
R-free | 0.23450 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.292 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.230 |
High resolution limit [Å] | 2.149 | 2.149 |
Rmerge | 0.331 | |
Number of reflections | 16738 | |
<I/σ(I)> | 43.79 | 7.2 |
Completeness [%] | 100 | |
Redundancy | 15 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 295 | 0.1 M SPG buffer, 25% polyethylene glycol 1500, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 295K |