6UGU
Crystal structure of the Fab fragment of anti-TNFa antibody infliximab (Remicade) in a C-centered orthorhombic crystal form, Lot C
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 | 2015-11-19 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97856 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 87.260, 138.150, 195.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.200 |
R-factor | 0.1724 |
Rwork | 0.170 |
R-free | 0.21850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4g3y |
RMSD bond length | 0.007 |
RMSD bond angle | 0.830 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (2229) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.260 |
High resolution limit [Å] | 2.200 | 9.840 | 2.200 |
Rmerge | 0.093 | 0.026 | 0.600 |
Rmeas | 0.101 | 0.029 | 0.655 |
Number of reflections | 59825 | 718 | 4392 |
<I/σ(I)> | 17.28 | 48.57 | 3.29 |
Completeness [%] | 99.5 | 94.2 | 100 |
Redundancy | 6.272 | 5.545 | 6.288 |
CC(1/2) | 0.998 | 0.999 | 0.850 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 10 mg/mL PF06438179 Fab lot C against Wiz 34 screen condition B4 (20% PEG3350, 0.2 M potassium citrate tribasic), supplemented with 20% ethylene glycol as cryoprotectant, crystal tracking ID 267668b4, unique puck ID sdw5-4 |