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 |