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 |
