4D1N
Structure of human nNOS heme domain with L-Arg 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 | CCD |
| Collection date | 2013-06-01 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 174.923, 84.664, 166.745 |
| Unit cell angles | 90.00, 90.94, 90.00 |
Refinement procedure
| Resolution | 46.600 - 2.030 |
| R-factor | 0.17855 |
| Rwork | 0.177 |
| R-free | 0.20863 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1om4 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.389 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.070 | 0.720 |
| Number of reflections | 149877 | |
| <I/σ(I)> | 24 | 1.8 |
| Completeness [%] | 94.9 | 92 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 11-13% PEG3350, 50MM CITRIC ACID 50MM BIS-TRIS-PROPANE, 10% GLYCEROL, 5 MM TCEP, pH 5.0 |
