3NP1
CRYSTAL STRUCTURE OF THE COMPLEX OF NITROPHORIN 1 FROM RHODNIUS PROLIXUS WITH CYANIDE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 293 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1997-10-17 |
| Detector | ENRAF-NONIUS FAST |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.390, 74.220, 66.230 |
| Unit cell angles | 90.00, 99.51, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.300 |
| R-factor | 0.19 |
| Rwork | 0.190 |
| R-free | 0.28000 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 1np1 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 30.100 * |
| Data reduction software | AGROVATA/ROTAVATA |
| Data scaling software | Agrovata |
| Phasing software | X-PLOR (3.851) |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.000 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.053 * | |
| Total number of observations | 46715 * | |
| Number of reflections | 16620 | |
| <I/σ(I)> | 10 | 2.8 |
| Completeness [%] | 99.0 | 97.2 |
| Redundancy | 2 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | Andersen, J.F., (1997) Biochemistry, 36, 4423. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | drop | potassium phosphate | 10 (mM) | |
| 3 | 1 | reservoir | ammonium phosphate | 2.6 (M) | |
| 4 | 1 | reservoir | potassium cacodylate | 0.1 (M) |
