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 |
