6GTJ
Neutron crystal structure for copper nitrite reductase from Achromobacter Cycloclastes at 1.8 A resolution
Experimental procedure
| Experimental method | LAUE |
| Source type | NUCLEAR REACTOR |
| Source details | ILL BEAMLINE LADI III |
| Synchrotron site | ILL |
| Beamline | LADI III |
| Temperature [K] | 293 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 2015-07-24 |
| Detector | LADI III |
| Wavelength(s) | 3.05 - 4.00 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 97.980, 97.980, 97.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.660 - 1.801 |
| R-factor | 0.2339 |
| Rwork | 0.232 |
| R-free | 0.27640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bw4 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.884 |
| Data reduction software | LaueView |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rpim | 0.063 | 0.130 |
| Number of reflections | 24728 | 1858 |
| <I/σ(I)> | 7.9 | 3.7 |
| Completeness [%] | 85.5 | 69.8 |
| Redundancy | 6.5 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 297 | 1.2M Ammonium sulphate, Citrate buffer pH 5 all deuterium based |
