6PYQ
Assembly of VIQKI D455(beta-L-homoaspartic acid)with human parainfluenza virus type 3 (HPIV3) fusion glycoprotein N-terminal heptad repeat domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-06-08 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9786 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.850, 49.340, 56.180 |
Unit cell angles | 90.00, 103.61, 90.00 |
Refinement procedure
Resolution | 24.730 - 1.790 |
R-factor | 0.2091 |
Rwork | 0.207 |
R-free | 0.23210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6nro |
RMSD bond length | 0.015 |
RMSD bond angle | 1.405 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.730 | 1.820 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmeas | 0.089 | 2.151 |
Rpim | 0.031 | 0.732 |
Number of reflections | 20102 | 1037 |
<I/σ(I)> | 13.7 | 1 |
Completeness [%] | 99.8 | 99.71 |
Redundancy | 8.5 | 8.6 |
CC(1/2) | 0.999 | 0.395 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 30 mM sodium nitrate, 30 mM dibasic sodium phosphate, 30 mM ammonium sulfate, 100 mM imidazole/MES monohydrate (pH 6.5), 12.5% PEG1000, 12.5% PEG3350, 12.5% 2-methyl-2,4-pentanediol |