5MY4
Structure of Pyroglutamate-Abeta-specific Fab c#17 in complex with human Abeta-pE3-12PEGb
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-22 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.170, 87.142, 58.029 |
Unit cell angles | 90.00, 96.06, 90.00 |
Refinement procedure
Resolution | 28.852 - 2.211 |
R-factor | 0.1894 |
Rwork | 0.186 |
R-free | 0.24950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dqt |
RMSD bond length | 0.008 |
RMSD bond angle | 0.988 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.3.0) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.852 | 30.000 | 2.310 |
High resolution limit [Å] | 2.210 | 28.852 | 2.210 |
Rmerge | 0.087 | 0.259 | |
Rmeas | 0.092 | 0.306 | |
Number of reflections | 40703 | 4119 | |
<I/σ(I)> | 18.84 | 4.55 | |
Completeness [%] | 98.1 | 86.8 | |
Redundancy | 8.868 | 3.355 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 286 | 25% w/v PEG 3350, 100 mM bis-Tris, 200 mM magnesium chloride, 0.5% n-dodecyl-beta-D-maltoside |