4FC3
Crystal Structure of Human Methaemoglobin Complexed with the Second NEAT Domain of IsdH from Staphylococcus aureus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.95370 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 67.041, 149.581, 86.265 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.900 - 2.260 |
| R-factor | 0.2209 |
| Rwork | 0.219 |
| R-free | 0.25610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3szk |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.760 |
| 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] | 50.000 | 50.000 | 2.300 |
| High resolution limit [Å] | 2.260 | 6.130 | 2.260 |
| Rmerge | 0.122 | 0.061 | 0.573 |
| Number of reflections | 19451 | ||
| <I/σ(I)> | 12.5 | ||
| Completeness [%] | 94.3 | 91 | 97 |
| Redundancy | 3.8 | 3.9 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.2M Sodium formate, 0.1M bis-tris propane, 20% PEG3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
