1HJ4
Cytochrome cd1 Nitrite Reductase, x-ray reduced dioxygen complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-12-16 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 106.690, 60.900, 100.590 |
| Unit cell angles | 90.00, 112.08, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.600 |
| R-factor | 0.201 * |
| Rwork | 0.202 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aof |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.015 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.041 | 0.202 |
| Number of reflections | 149315 | |
| <I/σ(I)> | 14.2 | 2.8 |
| Completeness [%] | 93.9 | 95.3 |
| Redundancy | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 | 15 * | Fulop, V., (1993) J. Mol. Biol., 232, 1211. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | drop | ammonium sulfate | 1.1-1.15 (M) | |
| 3 | 1 | drop | potassium phosphate | 25 (mM) | |
| 4 | 1 | reservoir | ammonium sulfate | 2.2-2.3 (M) | |
| 5 | 1 | reservoir | potassium phosphate | 50 (mM) |
