5NSJ
GP1 receptor-binding domain from Whitewater Arroyo mammarenavirus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-11-27 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.377 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 128.024, 128.352, 45.966 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.321 - 2.249 |
R-factor | 0.1862 |
Rwork | 0.183 |
R-free | 0.20910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kas |
RMSD bond length | 0.008 |
RMSD bond angle | 1.138 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AutoSol |
Refinement software | REFMAC (is phenix, but edited to fix R-factor: AC) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.310 |
High resolution limit [Å] | 2.249 | 2.249 |
Rmerge | 0.969 | |
Number of reflections | 35366 | |
<I/σ(I)> | 7.9 | |
Completeness [%] | 98.7 | 87.6 |
Redundancy | 6 | |
CC(1/2) | 0.997 | 0.739 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Tris HCL pH 8.7, 0.2 M ammonium acetate, 33% w/v polyethylene glycol 3,350, 5% ethylene glycol, 3% 1,1,1,3,3,3-hexafluro-2-propanol, 50 mM sodium bromide |