3JTA
Structure of neuronal nitric oxide synthase heme domain in the ferrous state complexed with N~5~-[4-(methylsulfanyl)butanimidoyl]-L-ornithine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-02-14 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.837, 111.501, 164.354 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.210 - 2.180 |
R-factor | 0.19257 |
Rwork | 0.190 |
R-free | 0.24505 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1om4 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.761 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.5.0089) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.220 |
High resolution limit [Å] | 2.180 | 2.180 |
Rmerge | 0.069 | 0.439 |
Number of reflections | 50917 | |
<I/σ(I)> | 9.9 | 1.8 |
Completeness [%] | 99.4 | 95.7 |
Redundancy | 4.4 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 278 | PEG3350, MES, ammonium acetate, SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K |