1P6M
Bovine endothelial NOS heme domain with (4S)-N-(4-amino-5-[aminoethyl]aminopentyl)-N'-nitroguanidine bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-11-26 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.08 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.033, 106.085, 156.667 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.850 - 2.270 |
| R-factor | 0.215 |
| Rwork | 0.215 |
| R-free | 0.27900 * |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 22.300 * |
| 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 | 2.310 |
| High resolution limit [Å] | 2.270 | 2.270 |
| Rmerge | 0.058 | 0.484 |
| Total number of observations | 162606 * | |
| Number of reflections | 43426 | |
| <I/σ(I)> | 24.5 | 2.1 |
| Completeness [%] | 95.6 | 86.7 |
| Redundancy | 3.7 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 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)) |
