8E1C
Crystal Structure of Nanobody VHH222 Specific for PA14 Cif
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 | 2020-07-29 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.978636 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 58.006, 58.006, 75.935 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.900 - 1.900 |
R-factor | 0.2126 |
Rwork | 0.212 |
R-free | 0.22420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ezj |
RMSD bond length | 0.010 |
RMSD bond angle | 0.819 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.900 | 1.968 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.075 | 1.286 |
Rmeas | 0.079 | 1.379 |
Rpim | 0.025 | 0.484 |
Number of reflections | 12038 | 1142 |
<I/σ(I)> | 16.76 | 1.58 |
Completeness [%] | 99.5 | 97.35 |
Redundancy | 9.5 | 7.6 |
CC(1/2) | 0.999 | 0.838 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 292.8 | 100 mM succinic acid/sodium phosphate monobasic/glycine 2:7:7 (SPG) pH 6.0, 25% (w/v) PEG1500 |