1D1W
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 2-AMINOTHIAZOLINE (H4B 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 | 1999-04-13 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.460, 106.320, 156.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.204 |
| Rwork | 0.204 |
| R-free | 0.25000 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 22.600 * |
| 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 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.051 | 0.700 |
| Total number of observations | 174141 * | |
| Number of reflections | 61326 | |
| <I/σ(I)> | 9.3 | |
| Completeness [%] | 89.7 | 84.4 |
| Redundancy | 2.8 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 280 | PEG 4000, CACODYLATE, MAGNESIUM ACETATE THE CHEMICAL, S-AMINOETHYL-ISOTHIOUREA, ADDED TO THE CRYSTALLIZATION BUFFER UNDERGOES A SPONTANEOUS REARRANGEMENT TO FORM 2-AMINOTHIAZOLINE., 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 |
