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) |