2G6H
Structure of rat nNOS heme domain (BH4 bound) in the reduced form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL1-5 |
Synchrotron site | SSRL |
Beamline | BL1-5 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-12-18 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.800, 110.960, 164.380 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.130 - 2.000 |
R-factor | 0.221 |
Rwork | 0.221 |
R-free | 0.25600 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1om4 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
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 | 0.056 | 0.534 |
Number of reflections | 63763 | |
<I/σ(I)> | 10.4 | 2.4 |
Completeness [%] | 1.0 | 0.972 |
Redundancy | 3.8 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 280 | PEG3350, MES, ammonium acetate, GSH, SDS, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 280K |