6ZAW
Damage-free NO-bound copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) determined by serial femtosecond rotation crystallography
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SACLA BEAMLINE BL2 |
| Synchrotron site | SACLA |
| Beamline | BL2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-02-01 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.240 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 106.870, 106.870, 106.870 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.870 - 1.300 |
| R-factor | 0.1372 |
| Rwork | 0.135 |
| R-free | 0.17980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6thf |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.064 |
| Data reduction software | CrystFEL |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.000 | 1.300 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.055 | 0.503 |
| Number of reflections | 106311 | 13886 |
| <I/σ(I)> | 6.5 | 2.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 138.8 | 64.1 |
| CC(1/2) | 0.967 | 0.491 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 297 | 1.6/1.8 M (NH4)2SO2 and 50mM HEPES buffer pH 5/ pH 5.5 |
