7U61
Crystal Structure of Anti-Nicotine Antibody NIC311 Fab Complexed with Nicotine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2018-09-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 114.762, 71.326, 57.344 |
Unit cell angles | 90.00, 107.66, 90.00 |
Refinement procedure
Resolution | 54.680 - 2.100 |
R-factor | 0.2328 |
Rwork | 0.230 |
R-free | 0.26360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yk1 |
Data reduction software | HKL-2000 |
Data scaling software | Aimless (0.5.27) |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 59.740 | 59.740 | 2.100 |
High resolution limit [Å] | 2.050 | 9.170 | 2.050 |
Rmerge | 0.051 | 0.014 | 0.424 |
Rmeas | 0.063 | 0.018 | 0.547 |
Rpim | 0.036 | 0.010 | 0.341 |
Total number of observations | 77729 | 893 | 3627 |
Number of reflections | 27444 | 336 | 1832 |
<I/σ(I)> | 23.5 | 94.1 | 1.2 |
Completeness [%] | 99.0 | 99.7 | 90.6 |
Redundancy | 2.8 | 2.7 | 2 |
CC(1/2) | 0.999 | 0.999 | 0.856 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | MES pH 5.5, 60mM PEG 4000, 15% Ammonium Sulfate, 90mM |