5D4I
Intact nitrite complex of a copper nitrite reductase determined by serial femtosecond crystallography
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SACLA BEAMLINE BL3 |
| Synchrotron site | SACLA |
| Beamline | BL3 |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2015-04-05 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 1.149 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.000, 103.000, 147.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.970 - 1.600 |
| R-factor | 0.16644 |
| Rwork | 0.165 |
| R-free | 0.19550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.119 |
| Phasing software | SHELXDE |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.970 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 120700 | |
| <I/σ(I)> | 11.87 | 1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 1079 | 1021.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 4 | 293 | 100mM sodium acetate (pH 4.0) and 12% PEG 4000 |
