2Q8Q
Crystal Structure of S. aureus IsdE 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 | 2007-03-12 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 64.219, 64.219, 144.993 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.150 |
R-factor | 0.20454 |
Rwork | 0.202 |
R-free | 0.25299 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2q8p |
RMSD bond length | 0.012 |
RMSD bond angle | 1.304 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (refmac_5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.058 | 0.363 |
Number of reflections | 17270 | |
<I/σ(I)> | 21.1 | |
Completeness [%] | 99.7 | 99.6 |
Redundancy | 6.3 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 294 | 50 mM MES, 0.2M ammonium acetate, 28% PEG 4000, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |