2FRF
Horse Heart Myoglobin, Nitrite Adduct, Crystal Soak
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-03-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.90 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.240, 28.607, 62.938 |
| Unit cell angles | 90.00, 105.75, 90.00 |
Refinement procedure
| Resolution | 9.940 - 1.200 |
| R-factor | 0.17048 |
| Rwork | 0.168 |
| R-free | 0.21107 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1npf |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.076 |
| 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] | 10.000 | 1.240 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.073 | 0.303 |
| Number of reflections | 37088 | |
| <I/σ(I)> | 7.8 | 4.34 |
| Completeness [%] | 98.3 | 92.6 |
| Redundancy | 3.4 |
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 |
