3CWL
Crystal structure of alpha-1-antitrypsin, crystal form B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-D |
| Synchrotron site | APS |
| Beamline | 14-BM-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-08-04 |
| Detector | ADSC |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.225, 51.898, 206.684 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.130 - 2.440 |
| R-factor | 0.218 |
| Rwork | 0.216 |
| R-free | 0.26400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.245 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.590 |
| High resolution limit [Å] | 2.440 | 2.440 |
| Rmerge | 0.116 | 0.435 |
| Number of reflections | 15060 | |
| <I/σ(I)> | 7.4 | |
| Completeness [%] | 92.1 | 82.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.4 | 295 | 27% PEG 4000, 0.2M Sodium Acetate, 100mM Tris-HCl, pH 8.4, vapor diffusion, hanging drop, temperature 295K, pH 8.40 |
