7AV7
Crystal structure of S-nitrosylated nitrosoglutathione reductase(GSNOR)from Chlamydomonas reinhardtii, in complex with NAD+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-08-04 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9137 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.386, 143.294, 206.271 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.528 - 2.900 |
| R-factor | 0.1837 |
| Rwork | 0.180 |
| R-free | 0.25680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7aau |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.623 | 48.623 | 3.060 |
| High resolution limit [Å] | 2.900 | 9.170 | 2.900 |
| Rmerge | 0.118 | 0.055 | 0.536 |
| Rmeas | 0.160 | 0.074 | 0.693 |
| Rpim | 0.081 | 0.041 | 0.360 |
| Number of reflections | 195324 | 1836 | 7444 |
| <I/σ(I)> | 8.1 | 2 | 2.1 |
| Completeness [%] | 99.7 | 99.3 | 99 |
| Redundancy | 3.7 | 3.7 | 3.5 |
| CC(1/2) | 0.986 | 0.733 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 12% w/v PEG 8K, 0.1 M Tris-HCl, 0.1 M MgCl2 |
