6UGS
Crystal structure of the Fab fragment of PF06438179/GP1111 an infliximab biosimilar in a C-centered orthorhombic crystal form, Lot A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-19 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.97872 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 87.210, 139.090, 195.680 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.950 |
R-factor | 0.1607 |
Rwork | 0.159 |
R-free | 0.19800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4g3y |
RMSD bond length | 0.006 |
RMSD bond angle | 0.789 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (dev_2229) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.000 |
High resolution limit [Å] | 1.950 | 8.720 | 1.950 |
Rmerge | 0.077 | 0.036 | 0.491 |
Rmeas | 0.084 | 0.040 | 0.536 |
Number of reflections | 86561 | 1014 | 6356 |
<I/σ(I)> | 15.61 | 34.75 | 3.53 |
Completeness [%] | 99.9 | 94.4 | 100 |
Redundancy | 6.191 | 5.384 | 6.259 |
CC(1/2) | 0.998 | 0.998 | 0.921 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 10 mg/mL PF06438179 Fab lot A against 19.5% PEG 10000, 0.1 M HEPES pH 7.8, supplemented with 20% ethylene glycol as cryoprotectant, crystal tracking ID 267659h4, unique puck ID lqb9-8 |