4JS9
Structural Characterization of Inducible Nitric Oxide Synthase Substituted With Mesoheme
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 113 |
| Detector technology | CCD |
| Collection date | 2012-08-10 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 215.039, 215.039, 115.547 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.092 - 2.784 |
| R-factor | 0.2516 |
| Rwork | 0.250 |
| R-free | 0.28990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dwj |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.297 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHENIX (1.8.1_1168) |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.500 | 2.880 |
| High resolution limit [Å] | 2.780 | 2.780 |
| Rmerge | 0.295 | |
| Number of reflections | 39539 | |
| <I/σ(I)> | 14.1 | 3.7 |
| Completeness [%] | 99.3 | 98.5 |
| Redundancy | 7 | 4.44 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 277 | 3.5% octyl-glucoside, 20% glycerol, 0.7M ammonium sulfate, 0.1M 2-(N-morpholino)ethanesulfonic acid, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K |
