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 |