1J9R
Crystal structure of nitrite soaked reduced D98N AFNIR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-03-12 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.436, 102.319, 145.898 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.186 |
| Rwork | 0.186 |
| R-free | 0.22500 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.600 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.130 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.062 | 0.294 * |
| Number of reflections | 61451 | 9867 * |
| <I/σ(I)> | 19.6 | 4.25 |
| Completeness [%] | 97.6 | 95.5 |
| Redundancy | 9.68 * | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 * | 298 | PEG 6000, sodium acetate, sodium nitrite, copper chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | sodium cacodylate | 0.1 (M) | |
| 2 | 1 | reservoir | sodium acetate | 0.1 (M) | |
| 3 | 1 | reservoir | PEG6000 | 10-15 (%) | |
| 4 | 1 | reservoir | 5 (mM) | equimolar | |
| 5 | 1 | reservoir | zinc acetate | 5 (mM) | equimolar |
| 6 | 1 | drop | protein | 10 (mg/ml) | |
| 7 | 1 | drop | Tris | 10 (mM) |
