1DMK
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 4-AMINO-6-PHENYL-TETRAHYDROPTERIDINE
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 | 1998-01-01 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.070, 106.110, 156.210 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.930 - 1.900 |
R-factor | 0.225 |
Rwork | 0.225 |
R-free | 0.26400 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | CNS (0.9) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.052 | 0.568 |
Number of reflections | 73472 | |
<I/σ(I)> | 9.7 | |
Completeness [%] | 95.0 | 92.6 |
Redundancy | 3.5 | 3.1 |
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 | SDS | 0.035 (mM) | |
7 | 1 | drop | TCEP | 5 (mM) | can be replaced by 5mM glutathione sulfonate |