5OXW
Structure of NeqN from Nanoarchaeum equitans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2016-11-25 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.1478 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 109.930, 67.720, 77.840 |
| Unit cell angles | 90.00, 129.91, 90.00 |
Refinement procedure
| Resolution | 51.010 - 2.610 |
| R-factor | 0.21013 |
| Rwork | 0.208 |
| R-free | 0.25740 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.408 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | Arcimboldo |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.010 | 2.680 |
| High resolution limit [Å] | 2.610 | 2.610 |
| Rmerge | 0.039 | 0.630 |
| Rmeas | 0.054 | 0.871 |
| Rpim | 0.038 | 0.599 |
| Number of reflections | 13172 | 970 |
| <I/σ(I)> | 16.4 | 1.8 |
| Completeness [%] | 97.9 | 98.6 |
| Redundancy | 3 | 3.2 |
| CC(1/2) | 0.999 | 0.720 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.1M Di-ammonium Tartrate pH7 |
