5I6P
Crystal Structure of Copper Nitrite Reductase at 100K after 27.60 MGy
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 95.303, 95.303, 95.303 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.600 - 1.560 |
| R-factor | 0.1795 |
| Rwork | 0.179 |
| R-free | 0.19480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.575 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.17) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 42.620 | 42.620 | 1.590 |
| High resolution limit [Å] | 1.560 | 8.540 | 1.560 |
| Rmerge | 0.051 | 0.027 | 1.092 |
| Rmeas | 0.057 | 0.030 | 1.253 |
| Rpim | 0.026 | 0.013 | 0.602 |
| Total number of observations | 164926 | 1019 | 8372 |
| Number of reflections | 39170 | ||
| <I/σ(I)> | 14.3 | 59.3 | 1.3 |
| Completeness [%] | 95.7 | 85.4 | 97.8 |
| Redundancy | 4.2 | 4.4 | 4.2 |
| CC(1/2) | 0.999 | 0.998 | 0.514 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 1.7 M Ammonium Sulphate, 0.1 M Sodium Acetate pH 4.5 |
