1P6J
Rat neuronal NOS heme domain with L-N(omega)-nitroarginine-(4R)-amino-L-proline 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 | 2001-08-15 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.10 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.330, 111.050, 164.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.040 - 2.000 |
R-factor | 0.225 |
Rwork | 0.225 |
R-free | 0.25900 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.006 |
RMSD bond angle | 22.500 * |
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 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.087 | 0.442 |
Total number of observations | 219756 * | |
Number of reflections | 59037 | |
<I/σ(I)> | 9.7 | 2.7 |
Completeness [%] | 89.7 | 89.6 |
Redundancy | 3.7 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 5 * | Li, H., (2002) Biochemistry, 41, 13868. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 7-9 (mg/ml) | |
2 | 1 | drop | imidazole | 5 (mM) | |
3 | 1 | drop | ligand | 5-8 (mM) | |
4 | 1 | reservoir | MES | 0.1 (M) | pH5.6-6.0 |
5 | 1 | reservoir | ammonium acetate | 100-200 (mM) | |
6 | 1 | reservoir | GSH | 2.0 (mM) | |
7 | 1 | reservoir | SDS | 35000 (nm) | |
8 | 1 | reservoir | PEG3350 | 18-22 (%(w/v)) |