3RTL
Staphylococcus aureus heme-bound IsdB-N2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-04 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.527, 82.608, 116.888 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.420 - 1.453 |
| R-factor | 0.1799 |
| Rwork | 0.178 |
| R-free | 0.21680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Selenomethionine-labeled IsdB-N2 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.379 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (refmac_5.5.0110) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 67.420 | 50.000 | 1.500 |
| High resolution limit [Å] | 1.453 | 3.120 | 1.453 |
| Rmerge | 0.050 | 0.035 | 0.373 |
| Number of reflections | 97666 | ||
| <I/σ(I)> | 21.7 | ||
| Completeness [%] | 99.4 | 98.5 | 95.2 |
| Redundancy | 7.1 | 7.2 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.1 M Tris, 25% PEG 3350, 0.1 M MgCl2, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
