1P6H
Rat neuronal NOS heme domain with L-N(omega)-nitroarginine-2,4-L-diaminobutyric amide bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-02-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.940, 110.220, 164.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.940 - 1.980 |
| R-factor | 0.231 |
| Rwork | 0.231 |
| R-free | 0.27300 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.010 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.082 | 0.613 |
| Total number of observations | 273691 * | |
| Number of reflections | 64062 | |
| <I/σ(I)> | 10.3 | 2.4 |
| Completeness [%] | 95.4 | 98.1 |
| Redundancy | 4.3 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 5 * | Li, H., (2002) Biochemistry, 41, 13868. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 7-9 (mg/ml) | |
| 2 | 1 | drop | imidazole | 5 (mM) | |
| 3 | 1 | drop | ligand | 5-8 (mM) | |
| 4 | 1 | reservoir | MES | 0.1 (M) | pH5.6-6.0 |
| 5 | 1 | reservoir | ammonium acetate | 100-200 (mM) | |
| 6 | 1 | reservoir | GSH | 2.0 (mM) | |
| 7 | 1 | reservoir | SDS | 35000 (nm) | |
| 8 | 1 | reservoir | PEG3350 | 18-22 (%(w/v)) |
