2E86
Azide bound to copper containing nitrite reductase from A. faecalis S-6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 200 |
| Detector technology | IMAGE PLATE |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.08 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.750, 102.582, 146.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.500 |
| R-factor | 0.16468 |
| Rwork | 0.164 |
| R-free | 0.17919 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.096 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.520 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.052 | 0.202 |
| Number of reflections | 145022 | |
| <I/σ(I)> | 17.5 | 5.9 |
| Completeness [%] | 99.3 | |
| Redundancy | 2.7 | 0.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 298 | 6-8 % PEG 4000, 0.1M sodium acetate buffer pH 4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
