3M3A
The roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin: Cu(II)-I107E FeBMb (Cu(II) binding to FeB site)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Detector technology | CCD |
| Collection date | 2009-04-29 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0890 |
| Spacegroup name | P 41 |
| Unit cell lengths | 60.580, 60.580, 38.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.370 |
| Rwork | 0.224 |
| R-free | 0.24700 |
| Structure solution method | AB INITIO |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.026 |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 32.330 |
| High resolution limit [Å] | 1.370 |
| Rmerge | 0.075 |
| Number of reflections | 29149 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
