4JSF
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6,6'-(heptane-1,7-diyl)bis(4-methylpyridin-2-amine)
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 | CCD |
Collection date | 2010-11-19 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.008 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.827, 110.541, 164.288 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.750 - 2.050 |
R-factor | 0.1767 |
Rwork | 0.175 |
R-free | 0.21683 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1om4 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.418 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.090 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.072 | 0.664 |
Number of reflections | 59677 | |
<I/σ(I)> | 22.7 | 2.5 |
Completeness [%] | 99.1 | 99.9 |
Redundancy | 4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 277 | 20-24% PEG3350, 0.1 M MES, 100 mM ammonium acetate, 10% ethylene glycol, 5 mM GSH, 30 uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K |