1D1X
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 1,4-PBITU (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 | 58.530, 106.730, 156.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.610 - 2.000 |
| R-factor | 0.22 |
| Rwork | 0.220 |
| R-free | 0.25400 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| 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 | 0.064 | 0.734 |
| Total number of observations | 182123 * | |
| Number of reflections | 62737 | |
| <I/σ(I)> | 8.5 | |
| Completeness [%] | 93.5 | 91 |
| Redundancy | 2.9 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 280 | Raman, C.S., (1998) Cell (Cambridge,Mass.), 95, 939. * |
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) | pH6.5 |
| 4 | 1 | reservoir | SEITU | 1 (mM) | or 5mM L-Arg |
| 5 | 1 | reservoir | sodium dodecyl sulfate | 0.035 (mM) | |
| 6 | 1 | reservoir | Tris(2-carboxyethyl)phosphine | 5 (mM) | or 5mM glutathione sulfonate |
