2NSS
Nitrobenzene Modified Horse Heart Myoglobin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-05-10 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54180 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.248, 28.847, 65.983 |
| Unit cell angles | 90.00, 105.63, 90.00 |
Refinement procedure
| Resolution | 19.740 - 2.000 |
| R-factor | 0.189 |
| Rwork | 0.181 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1npg |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.950 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (9.2D) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 21.910 | 21.910 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.300 | 2.000 |
| Rmerge | 0.079 | 0.039 | 0.314 |
| Total number of observations | 4531 | 3872 | |
| Number of reflections | 8578 | ||
| <I/σ(I)> | 12.5 | 31.5 | 4.2 |
| Completeness [%] | 97.5 | 99.8 | 93.6 |
| Redundancy | 4.88 | 4.78 | 4.6 |
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 |
