3UPA
A general strategy for the generation of human antibody variable domains with increased aggregation resistance
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-04-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.95369 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 45.040, 45.040, 173.240 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.590 - 1.800 |
R-factor | 0.2314 |
Rwork | 0.229 |
R-free | 0.28300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f6l |
RMSD bond length | 0.011 |
RMSD bond angle | 1.383 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.591 | 45.040 | 1.900 |
High resolution limit [Å] | 1.800 | 5.690 | 1.800 |
Rmerge | 0.038 | 0.788 | |
Rmeas | 0.040 | 0.821 | |
Rpim | 0.012 | 0.227 | |
Total number of observations | 7100 | 30749 | |
Number of reflections | 17458 | ||
<I/σ(I)> | 11.1 | 21.3 | 3 |
Completeness [%] | 99.8 | 99.8 | 99.6 |
Redundancy | 11.8 | 10.5 | 12.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 26% PEG 10000, 100mM Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |