1LZZ
Rat neuronal NOS heme domain with N-isopropyl-N'-hydroxyguanidine bound
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 | IMAGE PLATE |
Collection date | 2001-11-27 |
Detector | MARRESEARCH |
Wavelength(s) | 1.08 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.020, 111.110, 163.780 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.420 - 2.050 |
Rwork | 0.226 |
R-free | 0.26600 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.008 * |
RMSD bond angle | 1.400 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.090 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.071 | 0.616 |
Total number of observations | 202846 * | |
Number of reflections | 59070 | |
<I/σ(I)> | 9.3 | 1.8 |
Completeness [%] | 97.6 | 92.6 |
Redundancy | 3.4 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 5 * | PEG4000, MES, ammonium acetate, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 280K |
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 | reservoir | PEG3350 | 18-22 (%(w/v)) | |
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 (mM) |