1Q16
Crystal structure of Nitrate Reductase A, NarGHI, from Escherichia coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-05-24 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 154.175, 241.376, 139.494 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 1.900 |
| R-factor | 0.202 |
| Rwork | 0.202 |
| R-free | 0.23100 * |
| Structure solution method | MIRAS |
| RMSD bond length | 0.005 * |
| RMSD bond angle | 1.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.035 * | 0.502 * |
| Total number of observations | 1267890 * | |
| Number of reflections | 203816 * | |
| <I/σ(I)> | 20.1 | 4.2 |
| Completeness [%] | 99.6 * | 99.9 * |
| Redundancy | 6.2 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | PEG 3000, sodium acetate, potassium chloride, EDTA, hepes, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | HEPES | 100 (mM) | pH7.0 |
| 2 | 1 | reservoir | PEG3000 | 20 (%(w/v)) | |
| 3 | 1 | reservoir | sodium acetate | 200 (mM) | |
| 4 | 1 | reservoir | 200 (mM) | ||
| 5 | 1 | reservoir | EDTA | 5 (mM) |
