3JT5
Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-22 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.800 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.020, 111.172, 164.374 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.720 - 2.100 |
R-factor | 0.17627 |
Rwork | 0.174 |
R-free | 0.20994 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1om4 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.387 |
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 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.078 | 0.638 |
Number of reflections | 56333 | |
<I/σ(I)> | 7.9 | 3.2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 8.1 |
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 |