1L9R
CRYSTAL STRUCTURE OF THE I257M VARIANT OF THE COPPER-CONTAINING NITRITE REDUCTASE FROM ALCALIGENES FAECALIS S-6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-06-10 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.770, 102.380, 146.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.600 - 1.780 |
| Rwork | 0.154 |
| R-free | 0.19700 |
| Structure solution method | isomorphous |
| RMSD bond length | 0.010 |
| RMSD bond angle | 26.600 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.600 | 1.890 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.082 | 0.306 |
| Number of reflections | 84883 * | |
| <I/σ(I)> | 15.9 | 3.2 |
| Completeness [%] | 95.0 * | 77.6 |
| Redundancy | 9.6 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 * | 19 * | acetate peg 4000, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | sodium acetate | 0.1 (M) | pH4.7 |
| 2 | 1 | reservoir | PEG4000 | 6-10 (%(v/v)) | |
| 3 | 1 | reservoir | cupric chloride | 1-5 (mM) | |
| 4 | 1 | drop | protein | 15 (mg/ml) | |
| 5 | 1 | drop | Tris | 10 (mM) | pH7.0 |
