1D0O
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 3-BROMO-7-NITROINDAZOLE (H4B PRESENT)
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 | 1998-12-12 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.590, 106.060, 155.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.950 |
| R-factor | 0.2 * |
| Rwork | 0.200 |
| R-free | 0.24700 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 23.360 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.950 * | 1.900 |
| Rmerge | 0.050 | 0.612 |
| Total number of observations | 231841 * | |
| Number of reflections | 73044 | |
| <I/σ(I)> | 8.8 | |
| Completeness [%] | 95.7 | 93.5 |
| Redundancy | 3.2 | 3 |
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) | |
| 4 | 1 | drop | SEITU | 1 (mM) | can be replaced by 5mM L-Arg |
| 5 | 1 | drop | SDS | 0.035 (mM) | |
| 6 | 1 | drop | TCEP | 5 (mM) | can be replaced by 5mM glutathione sulfonate |
