1K2S
Structure of rat brain nNOS heme domain complexed with NG-allyl-L-arginine
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 | 2000-06-10 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.730, 111.030, 165.050 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.610 - 2.550 |
R-factor | 0.227 |
Rwork | 0.227 |
R-free | 0.28600 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.007 |
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 | 2.590 |
High resolution limit [Å] | 2.550 | 2.550 |
Rmerge | 0.113 | 0.609 |
Number of reflections | 31687 | |
<I/σ(I)> | 5.7 | 2 |
Completeness [%] | 99.3 | 98.3 |
Redundancy | 3.5 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 280 | PEG 4000, MES, ammonium acetate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 280K |