3NQS
Crystal Structure of Inducible Nitric Oxide Synthase with N-Nitrosated-pterin
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 | 2000-01-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 214.114, 214.114, 116.542 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.110 - 2.200 |
| R-factor | 0.204 |
| Rwork | 0.204 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e7m |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | XFIT |
| Data scaling software | HKL-2000 |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.250 |
| High resolution limit [Å] | 2.200 | 2.170 |
| Number of reflections | 77889 | |
| <I/σ(I)> | 21 | 2.5 |
| Completeness [%] | 94.0 | 74.6 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 278 | 25% Li2SO4, 5% BOG, 50 mM MES, 50 mM CysNO, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
