1ED4
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH IPITU (H4B FREE)
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 | 1999-12-05 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.028, 106.789, 156.461 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.730 - 1.860 |
| R-factor | 0.215 |
| Rwork | 0.215 |
| R-free | 0.23500 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 22.700 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.890 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.062 | 0.435 |
| Total number of observations | 283041 * | |
| Number of reflections | 78017 | |
| <I/σ(I)> | 9.6 | |
| Completeness [%] | 94.5 | 89.4 |
| Redundancy | 3.6 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 280 | PEG 4000, cacodylate, magnesium acetate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG3350 | 15 (%) | |
| 2 | 1 | reservoir | magnesium acetate | 200 (mM) | |
| 3 | 1 | reservoir | sodium cacodylate | 100 (mM) | |
| 4 | 1 | reservoir | SEITU | 1 (mM) | |
| 5 | 1 | reservoir | SDS | 0.035 (mM) | |
| 6 | 1 | reservoir | TCEP | 5 (mM) | or 5mM glutathione sulfonate |
