3QUG
Structure of heme transport protein IsdH-NEAT3 from S. aureus in complex with Gallium-porphyrin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-07 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 49.203, 70.120, 75.422 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.700 |
| R-factor | 0.2155 |
| Rwork | 0.214 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2z6f |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.023 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 51.350 | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
| Rmerge | 0.089 | 0.043 | 0.510 |
| Number of reflections | 28690 | ||
| <I/σ(I)> | 8.8 | ||
| Completeness [%] | 97.8 | 99.6 | 83.8 |
| Redundancy | 6.7 | 6.8 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 293 | PEG-MME 2000 (25-29%), Sodium Acetate/Acetic Acid 0.1M, Ammonium Sulfate 0.2M, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
