8F8V
Crystal structure of Nb.X0
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-04-06 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97934 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 59.310, 95.081, 110.372 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.320 - 1.810 |
R-factor | 0.1939 |
Rwork | 0.192 |
R-free | 0.22160 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.953 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.320 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rpim | 0.045 | 0.339 |
Number of reflections | 27855 | 1313 |
<I/σ(I)> | 27.7 | |
Completeness [%] | 99.2 | |
Redundancy | 9.5 | |
CC(1/2) | 0.991 | 0.708 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20 % v/v PPGBA 400 + 15 % v/v 1-Propanol. Cryopreserved with 40% ethylene glycol |