3QA3
Crystal Structure of A-domain in complex with antibody
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-02-08 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97934 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.604, 158.346, 233.319 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.650 - 3.000 |
R-factor | 0.1956 |
Rwork | 0.194 |
R-free | 0.22440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3q3g |
RMSD bond length | 0.009 |
RMSD bond angle | 1.180 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.1.4) |
Refinement software | BUSTER (2.8.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.648 | 3.050 |
High resolution limit [Å] | 3.001 | 3.000 |
Rmerge | 0.156 | 0.814 |
Number of reflections | 61325 | |
<I/σ(I)> | 10.92 | 2.66 |
Completeness [%] | 99.1 | 97.9 |
Redundancy | 5.9 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 298 | 13% PEG8000, Tris pH 8.2, 0.25M NaCl, 10mM CaCl2, 1mM PMSF, VAPOR DIFFUSION, HANGING DROP, temperature 298K |