4DCQ
Crystal Structure of the Fab Fragment of 3B5H10, an Antibody-Specific for Extended Polyglutamine Repeats (orthorhombic form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 78 |
Detector technology | CCD |
Collection date | 2006-01-01 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 78.068, 121.815, 42.012 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 11.000 - 1.940 |
R-factor | 0.1883 |
Rwork | 0.185 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3s96 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.786 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Phasing software | PHASER (1.3.1) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.990 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.084 | 0.360 |
Number of reflections | 29497 | |
<I/σ(I)> | 7.6 | 2.9 |
Completeness [%] | 96.4 | 74.26 |
Redundancy | 5.2 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 20% PEG 3350, 200 mM citric acid,0.7% ethylene glycol, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |