6ZAU
Damage-free nitrite-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 | 2020-02-02 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.2398 |
Spacegroup name | P 21 3 |
Unit cell lengths | 106.950, 106.950, 106.950 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.800 - 1.300 |
R-factor | 0.1583 |
Rwork | 0.156 |
R-free | 0.20610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6thf |
RMSD bond length | 0.015 |
RMSD bond angle | 1.903 |
Data reduction software | CrystFEL |
Data scaling software | XDS |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.630 | 1.350 |
High resolution limit [Å] | 1.300 | 1.300 |
Number of reflections | 99872 | 12315 |
<I/σ(I)> | 4.1 | 1.4 |
Completeness [%] | 99.9 | 99.5 |
Redundancy | 73.4 | |
CC(1/2) | 0.951 | 0.016 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 1.6/1.8 M (NH4)2SO4 and 50mM HEPES buffer pH 5/ pH 5.5 |