5NJD
Structure of Interleukin 23 in complex with Briakinumab FAb
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 191.606, 191.606, 519.109 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 95.800 - 3.900 |
R-factor | 0.2724 |
Rwork | 0.272 |
R-free | 0.31180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | composite model 4OE8 and homology model for FAb |
RMSD bond length | 0.004 |
RMSD bond angle | 0.552 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 95.800 | 94.810 | 4.140 |
High resolution limit [Å] | 3.900 | 11.640 | 3.900 |
Rmeas | 0.438 | 0.085 | 1.378 |
Number of reflections | 86556 | 3549 | 13014 |
<I/σ(I)> | 4.2 | 16.02 | 1.18 |
Completeness [%] | 97.7 | 95.9 | 92.5 |
Redundancy | 5.1 | 4.61 | 5.12 |
CC(1/2) | 0.960 | 0.995 | 0.430 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 287 | 2 M (NH4)2SO4, 100 mM BisTris |