3MN0
Introducing a 2-His-1-Glu Non-Heme Iron Center into Myoglobin confers Nitric Oxide Reductase activity: Cu(II)-CN-FeBMb(-His) form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Detector technology | CCD |
Collection date | 2009-06-04 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.0988 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.610, 48.420, 77.630 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 1.650 |
Rwork | 0.245 |
R-free | 0.27300 |
Structure solution method | AB INITIO |
Starting model (for MR) | NONE |
RMSD bond length | 0.007 |
RMSD bond angle | 0.024 |
Phasing software | MOLREP |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 8.000 |
High resolution limit [Å] | 1.650 |
Rmerge | 0.063 |
Number of reflections | 17410 |
Completeness [%] | 94.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7 | 298 | pH 7, EVAPORATION, temperature 298K |