1RS7
Rat neuronal NOS heme domain with D-phenylalanine-D-nitroarginine amide bound
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 | 2002-01-10 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.085, 110.909, 165.032 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.060 - 1.950 |
R-factor | 0.216 |
Rwork | 0.216 |
R-free | 0.25100 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.011 |
RMSD bond angle | 1.500 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.980 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.037 | 0.149 |
Number of reflections | 64254 | |
<I/σ(I)> | 13.2 | 4.7 |
Completeness [%] | 91.5 | 54 |
Redundancy | 3.5 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 280 | PEG4000, MES, ammonium acetate, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 280K |