2FRJ
Nitrosyl Horse Heart Myoglobin, Nitrite/Dithionite Method
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-02-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.497, 28.795, 63.257 |
| Unit cell angles | 90.00, 105.96, 90.00 |
Refinement procedure
| Resolution | 9.780 - 1.300 |
| R-factor | 0.17954 |
| Rwork | 0.177 |
| R-free | 0.22012 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1npf |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.189 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.333 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.052 | |
| Number of reflections | 28869 | |
| <I/σ(I)> | 17.8 | |
| Completeness [%] | 91.4 | 70.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 295 | Ammonium Sulfate, Tris-HCl, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
