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 |