1P6J
Rat neuronal NOS heme domain with L-N(omega)-nitroarginine-(4R)-amino-L-proline amide bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-08-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.10 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.330, 111.050, 164.690 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.040 - 2.000 |
| R-factor | 0.225 |
| Rwork | 0.225 |
| R-free | 0.25900 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 22.500 * |
| 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] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.087 | 0.442 |
| Total number of observations | 219756 * | |
| Number of reflections | 59037 | |
| <I/σ(I)> | 9.7 | 2.7 |
| Completeness [%] | 89.7 | 89.6 |
| Redundancy | 3.7 | 3 |
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)) |
