3VAU
Myoglobin nitrite structure: nitriheme modified
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-03-23 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.140, 28.423, 62.867 |
| Unit cell angles | 90.00, 105.50, 90.00 |
Refinement procedure
| Resolution | 26.340 - 1.700 |
| R-factor | 0.17566 |
| Rwork | 0.173 |
| R-free | 0.23657 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dwr |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.046 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.340 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.053 | 0.062 |
| Number of reflections | 13475 | |
| <I/σ(I)> | 11.8 | 3.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.87 | 3.76 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 295 | ammonium sulfate, 100mM TrisHCl, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
